data_3LTU
# 
_entry.id   3LTU 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.379 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   3LTU         pdb_00003ltu 10.2210/pdb3ltu/pdb 
NDB   NA0452       ?            ?                   
RCSB  RCSB057722   ?            ?                   
WWPDB D_1000057722 ?            ?                   
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.db_id 
_pdbx_database_related.details 
_pdbx_database_related.content_type 
PDB 1DNS . unspecified 
PDB 3IJK . unspecified 
PDB 3LTR . unspecified 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        3LTU 
_pdbx_database_status.recvd_initial_deposition_date   2010-02-16 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Sheng, J.'      1 
'Hassan, A.E.A.' 2 
'Zhang, W.'      3 
'Gan, J.'        4 
'Huang, Z.'      5 
# 
_citation.id                        primary 
_citation.title                     'Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate' 
_citation.journal_abbrev            Chemistryselect 
_citation.journal_volume            8 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      2023 
_citation.journal_id_ASTM           ? 
_citation.country                   DE 
_citation.journal_id_ISSN           2365-6549 
_citation.journal_id_CSD            ? 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      10.1002/slct.202302253 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Fang, Z.'   1 ? 
primary 'Dantsu, Y.' 2 ? 
primary 'Chen, C.'   3 ? 
primary 'Zhang, W.'  4 ? 
primary 'Huang, Z.'  5 ? 
# 
_cell.entry_id           3LTU 
_cell.length_a           43.078 
_cell.length_b           43.078 
_cell.length_c           23.814 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
_cell.length_a_esd       ? 
_cell.length_b_esd       ? 
_cell.length_c_esd       ? 
_cell.angle_alpha_esd    ? 
_cell.angle_beta_esd     ? 
_cell.angle_gamma_esd    ? 
# 
_symmetry.entry_id                         3LTU 
_symmetry.space_group_name_H-M             'P 43 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer syn "5'-D(*GP*(UMS)P*GP*(T5S)P*AP*CP*AP*C)-3'" 2584.537 1  ? ? ? ? 
2 water   nat water                                      18.015   38 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           polydeoxyribonucleotide 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       '(DG)(UMS)(DG)(T5S)(DA)(DC)(DA)(DC)' 
_entity_poly.pdbx_seq_one_letter_code_can   GUGTACAC 
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1 DG  n 
1 2 UMS n 
1 3 DG  n 
1 4 T5S n 
1 5 DA  n 
1 6 DC  n 
1 7 DA  n 
1 8 DC  n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       ? 
_pdbx_entity_src_syn.pdbx_end_seq_num       ? 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                'synthesized by solid phase synthesizer.' 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    3LTU 
_struct_ref.pdbx_db_accession          3LTU 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_align_begin           ? 
_struct_ref.pdbx_seq_one_letter_code   GUGTACAC 
_struct_ref.pdbx_db_isoform            ? 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              3LTU 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 8 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             3LTU 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  8 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       8 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
DA  'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE"             ? 'C10 H14 N5 O6 P'    331.222 
DC  'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"              ? 'C9 H14 N3 O7 P'     307.197 
DG  'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE"             ? 'C10 H14 N5 O7 P'    347.221 
HOH non-polymer   . WATER                                            ? 'H2 O'               18.015  
T5S 'DNA linking' n 
;2'-deoxy-5-(methylselanyl)uridine 5'-phosphate
;
? 'C10 H15 N2 O8 P Se' 401.168 
UMS 'DNA linking' n "2'-METHYLSELENYL-2'-DEOXYURIDINE-5'-PHOSPHATE"  ? 'C10 H15 N2 O8 P Se' 401.168 
# 
_exptl.entry_id          3LTU 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.14 
_exptl_crystal.density_percent_sol   42.45 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              6.0 
_exptl_crystal_grow.pdbx_details    
;10% v / v MPD, 40 mM Na Cacodylate pH 6.0, 12 mM Spermine tetra-HCl, 80 mM Sodium Chloride, 20 mM Magnesium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K
;
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           99 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               CCD 
_diffrn_detector.type                   'ADSC QUANTUM 210' 
_diffrn_detector.pdbx_collection_date   2009-10-10 
_diffrn_detector.details                Mirror 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    'Si(III)' 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9795 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'NSLS BEAMLINE X12C' 
_diffrn_source.pdbx_synchrotron_site       NSLS 
_diffrn_source.pdbx_synchrotron_beamline   X12C 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        0.9795 
# 
_reflns.entry_id                     3LTU 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             50 
_reflns.d_resolution_high            1.40 
_reflns.number_obs                   4661 
_reflns.number_all                   4766 
_reflns.percent_possible_obs         97.8 
_reflns.pdbx_Rmerge_I_obs            0.087 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        18.9 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              23 
_reflns.R_free_details               ? 
_reflns.limit_h_max                  ? 
_reflns.limit_h_min                  ? 
_reflns.limit_k_max                  ? 
_reflns.limit_k_min                  ? 
_reflns.limit_l_max                  ? 
_reflns.limit_l_min                  ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_reflns_shell.d_res_high             1.40 
_reflns_shell.d_res_low              1.45 
_reflns_shell.percent_possible_all   99.3 
_reflns_shell.Rmerge_I_obs           0.136 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    14.5 
_reflns_shell.pdbx_redundancy        11.1 
_reflns_shell.percent_possible_obs   ? 
_reflns_shell.number_unique_all      446 
_reflns_shell.number_measured_all    ? 
_reflns_shell.number_measured_obs    ? 
_reflns_shell.number_unique_obs      ? 
_reflns_shell.pdbx_chi_squared       ? 
_reflns_shell.pdbx_ordinal           1 
_reflns_shell.pdbx_diffrn_id         1 
# 
_refine.entry_id                                 3LTU 
_refine.ls_number_reflns_obs                     4421 
_refine.ls_number_reflns_all                     4519 
_refine.pdbx_ls_sigma_I                          . 
_refine.pdbx_ls_sigma_F                          . 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             30.46 
_refine.ls_d_res_high                            1.40 
_refine.ls_percent_reflns_obs                    97.83 
_refine.ls_R_factor_obs                          0.17584 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.17477 
_refine.ls_R_factor_R_free                       0.20041 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 4.6 
_refine.ls_number_reflns_R_free                  212 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               0.946 
_refine.correlation_coeff_Fo_to_Fc_free          0.945 
_refine.B_iso_mean                               8.965 
_refine.aniso_B[1][1]                            0.17 
_refine.aniso_B[2][2]                            0.17 
_refine.aniso_B[3][3]                            -0.34 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][3]                            0.00 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.pdbx_starting_model                      1DNS 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_overall_ESU_R                       0.059 
_refine.pdbx_overall_ESU_R_Free                  0.061 
_refine.overall_SU_ML                            0.030 
_refine.overall_SU_B                             1.465 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.B_iso_min                                ? 
_refine.B_iso_max                                ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.pdbx_TLS_residual_ADP_flag               'LIKELY RESIDUAL' 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_analyze.entry_id                        3LTU 
_refine_analyze.Luzzati_coordinate_error_obs    0.059 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_coordinate_error_free   0.061 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.pdbx_Luzzati_d_res_high_obs     ? 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        0 
_refine_hist.pdbx_number_atoms_nucleic_acid   163 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             38 
_refine_hist.number_atoms_total               201 
_refine_hist.d_res_high                       1.40 
_refine_hist.d_res_low                        30.46 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.pdbx_restraint_function 
r_bond_refined_d         0.004 0.021 ? 182 'X-RAY DIFFRACTION' ? 
r_angle_refined_deg      1.108 3.000 ? 278 'X-RAY DIFFRACTION' ? 
r_chiral_restr           0.044 0.200 ? 32  'X-RAY DIFFRACTION' ? 
r_gen_planes_refined     0.007 0.020 ? 83  'X-RAY DIFFRACTION' ? 
r_nbd_refined            0.129 0.200 ? 60  'X-RAY DIFFRACTION' ? 
r_nbtor_refined          0.271 0.200 ? 107 'X-RAY DIFFRACTION' ? 
r_xyhbond_nbd_refined    0.098 0.200 ? 24  'X-RAY DIFFRACTION' ? 
r_symmetry_vdw_refined   0.180 0.200 ? 22  'X-RAY DIFFRACTION' ? 
r_symmetry_hbond_refined 0.070 0.200 ? 14  'X-RAY DIFFRACTION' ? 
r_scbond_it              0.735 3.000 ? 263 'X-RAY DIFFRACTION' ? 
r_scangle_it             0.976 4.500 ? 278 'X-RAY DIFFRACTION' ? 
# 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.d_res_high                       1.400 
_refine_ls_shell.d_res_low                        1.436 
_refine_ls_shell.number_reflns_R_work             321 
_refine_ls_shell.R_factor_R_work                  0.161 
_refine_ls_shell.percent_reflns_obs               99.40 
_refine_ls_shell.R_factor_R_free                  0.189 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             12 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  3LTU 
_struct.title                     '5-SeMe-dU containing DNA 8mer' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        3LTU 
_struct_keywords.pdbx_keywords   DNA 
_struct_keywords.text            'DNA, oligonucleotide, 5-SeMe, selenium, 5-methoxy-uridine' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1  covale both ? A DG  1 "O3'" ? ? ? 1_555 A UMS 2 P  ? ? A DG  1 A UMS 2 1_555 ? ? ? ? ? ? ?            1.604 ? ? 
covale2  covale both ? A UMS 2 "O3'" ? ? ? 1_555 A DG  3 P  ? ? A UMS 2 A DG  3 1_555 ? ? ? ? ? ? ?            1.597 ? ? 
covale3  covale both ? A DG  3 "O3'" ? ? ? 1_555 A T5S 4 P  ? ? A DG  3 A T5S 4 1_555 ? ? ? ? ? ? ?            1.604 ? ? 
covale4  covale both ? A T5S 4 "O3'" ? ? ? 1_555 A DA  5 P  ? ? A T5S 4 A DA  5 1_555 ? ? ? ? ? ? ?            1.598 ? ? 
hydrog1  hydrog ?    ? A DG  1 N1    ? ? ? 1_555 A DC  8 N3 ? ? A DG  1 A DC  8 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog2  hydrog ?    ? A DG  1 N2    ? ? ? 1_555 A DC  8 O2 ? ? A DG  1 A DC  8 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog3  hydrog ?    ? A DG  1 O6    ? ? ? 1_555 A DC  8 N4 ? ? A DG  1 A DC  8 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog4  hydrog ?    ? A UMS 2 N3    ? ? ? 1_555 A DA  7 N1 ? ? A UMS 2 A DA  7 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog5  hydrog ?    ? A UMS 2 O4    ? ? ? 1_555 A DA  7 N6 ? ? A UMS 2 A DA  7 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog6  hydrog ?    ? A DG  3 N1    ? ? ? 1_555 A DC  6 N3 ? ? A DG  3 A DC  6 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog7  hydrog ?    ? A DG  3 N2    ? ? ? 1_555 A DC  6 O2 ? ? A DG  3 A DC  6 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog8  hydrog ?    ? A DG  3 O6    ? ? ? 1_555 A DC  6 N4 ? ? A DG  3 A DC  6 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog9  hydrog ?    ? A T5S 4 N3    ? ? ? 1_555 A DA  5 N1 ? ? A T5S 4 A DA  5 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog10 hydrog ?    ? A T5S 4 O4    ? ? ? 1_555 A DA  5 N6 ? ? A T5S 4 A DA  5 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog11 hydrog ?    ? A DA  5 N1    ? ? ? 1_555 A T5S 4 N3 ? ? A DA  5 A T5S 4 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog12 hydrog ?    ? A DA  5 N6    ? ? ? 1_555 A T5S 4 O4 ? ? A DA  5 A T5S 4 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog13 hydrog ?    ? A DC  6 N3    ? ? ? 1_555 A DG  3 N1 ? ? A DC  6 A DG  3 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog14 hydrog ?    ? A DC  6 N4    ? ? ? 1_555 A DG  3 O6 ? ? A DC  6 A DG  3 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog15 hydrog ?    ? A DC  6 O2    ? ? ? 1_555 A DG  3 N2 ? ? A DC  6 A DG  3 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog16 hydrog ?    ? A DA  7 N1    ? ? ? 1_555 A UMS 2 N3 ? ? A DA  7 A UMS 2 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog17 hydrog ?    ? A DA  7 N6    ? ? ? 1_555 A UMS 2 O4 ? ? A DA  7 A UMS 2 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog18 hydrog ?    ? A DC  8 N3    ? ? ? 1_555 A DG  1 N1 ? ? A DC  8 A DG  1 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog19 hydrog ?    ? A DC  8 N4    ? ? ? 1_555 A DG  1 O6 ? ? A DC  8 A DG  1 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
hydrog20 hydrog ?    ? A DC  8 O2    ? ? ? 1_555 A DG  1 N2 ? ? A DC  8 A DG  1 8_666 ? ? ? ? ? ? WATSON-CRICK ?     ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
hydrog ? ? 
# 
_database_PDB_matrix.entry_id          3LTU 
_database_PDB_matrix.origx[1][1]       1.000000 
_database_PDB_matrix.origx[1][2]       0.000000 
_database_PDB_matrix.origx[1][3]       0.000000 
_database_PDB_matrix.origx[2][1]       0.000000 
_database_PDB_matrix.origx[2][2]       1.000000 
_database_PDB_matrix.origx[2][3]       0.000000 
_database_PDB_matrix.origx[3][1]       0.000000 
_database_PDB_matrix.origx[3][2]       0.000000 
_database_PDB_matrix.origx[3][3]       1.000000 
_database_PDB_matrix.origx_vector[1]   0.00000 
_database_PDB_matrix.origx_vector[2]   0.00000 
_database_PDB_matrix.origx_vector[3]   0.00000 
# 
_atom_sites.entry_id                    3LTU 
_atom_sites.fract_transf_matrix[1][1]   0.023214 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.023214 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.041992 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C  
N  
O  
P  
SE 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   O  "O5'"  . DG  A 1 1 ? 29.474 24.199 23.172 1.00 6.03  ? 1  DG  A "O5'"  1 
ATOM   2   C  "C5'"  . DG  A 1 1 ? 29.374 25.593 22.891 1.00 5.06  ? 1  DG  A "C5'"  1 
ATOM   3   C  "C4'"  . DG  A 1 1 ? 30.619 26.090 22.171 1.00 5.25  ? 1  DG  A "C4'"  1 
ATOM   4   O  "O4'"  . DG  A 1 1 ? 31.798 25.875 22.995 1.00 5.24  ? 1  DG  A "O4'"  1 
ATOM   5   C  "C3'"  . DG  A 1 1 ? 30.950 25.388 20.861 1.00 4.90  ? 1  DG  A "C3'"  1 
ATOM   6   O  "O3'"  . DG  A 1 1 ? 30.176 25.931 19.799 1.00 5.29  ? 1  DG  A "O3'"  1 
ATOM   7   C  "C2'"  . DG  A 1 1 ? 32.436 25.708 20.731 1.00 5.51  ? 1  DG  A "C2'"  1 
ATOM   8   C  "C1'"  . DG  A 1 1 ? 32.898 25.531 22.178 1.00 5.10  ? 1  DG  A "C1'"  1 
ATOM   9   N  N9     . DG  A 1 1 ? 33.291 24.157 22.473 1.00 5.17  ? 1  DG  A N9     1 
ATOM   10  C  C8     . DG  A 1 1 ? 32.524 23.188 23.075 1.00 5.01  ? 1  DG  A C8     1 
ATOM   11  N  N7     . DG  A 1 1 ? 33.132 22.045 23.197 1.00 5.42  ? 1  DG  A N7     1 
ATOM   12  C  C5     . DG  A 1 1 ? 34.379 22.266 22.626 1.00 5.30  ? 1  DG  A C5     1 
ATOM   13  C  C6     . DG  A 1 1 ? 35.476 21.388 22.470 1.00 5.38  ? 1  DG  A C6     1 
ATOM   14  O  O6     . DG  A 1 1 ? 35.550 20.204 22.817 1.00 5.44  ? 1  DG  A O6     1 
ATOM   15  N  N1     . DG  A 1 1 ? 36.562 22.003 21.846 1.00 5.41  ? 1  DG  A N1     1 
ATOM   16  C  C2     . DG  A 1 1 ? 36.586 23.315 21.430 1.00 5.67  ? 1  DG  A C2     1 
ATOM   17  N  N2     . DG  A 1 1 ? 37.721 23.734 20.847 1.00 6.22  ? 1  DG  A N2     1 
ATOM   18  N  N3     . DG  A 1 1 ? 35.560 24.153 21.569 1.00 5.60  ? 1  DG  A N3     1 
ATOM   19  C  C4     . DG  A 1 1 ? 34.495 23.563 22.174 1.00 5.02  ? 1  DG  A C4     1 
HETATM 20  P  P      . UMS A 1 2 ? 29.698 25.034 18.558 1.00 5.10  ? 2  UMS A P      1 
HETATM 21  O  OP1    . UMS A 1 2 ? 28.842 25.905 17.722 1.00 5.56  ? 2  UMS A OP1    1 
HETATM 22  O  OP2    . UMS A 1 2 ? 29.185 23.733 19.046 1.00 5.93  ? 2  UMS A OP2    1 
HETATM 23  O  "O5'"  . UMS A 1 2 ? 31.049 24.700 17.777 1.00 5.02  ? 2  UMS A "O5'"  1 
HETATM 24  C  "C5'"  . UMS A 1 2 ? 31.711 25.729 17.062 1.00 5.12  ? 2  UMS A "C5'"  1 
HETATM 25  C  "C4'"  . UMS A 1 2 ? 33.062 25.242 16.584 1.00 5.49  ? 2  UMS A "C4'"  1 
HETATM 26  O  "O4'"  . UMS A 1 2 ? 33.863 24.804 17.711 1.00 4.78  ? 2  UMS A "O4'"  1 
HETATM 27  C  "C3'"  . UMS A 1 2 ? 33.001 24.046 15.649 1.00 6.58  ? 2  UMS A "C3'"  1 
HETATM 28  O  "O3'"  . UMS A 1 2 ? 32.687 24.532 14.347 1.00 7.95  ? 2  UMS A "O3'"  1 
HETATM 29  C  "C2'"  . UMS A 1 2 ? 34.417 23.487 15.810 1.00 5.83  ? 2  UMS A "C2'"  1 
HETATM 30  SE "SE2'" . UMS A 1 2 ? 35.736 24.535 14.787 0.88 7.95  ? 2  UMS A "SE2'" 1 
HETATM 31  C  "C1'"  . UMS A 1 2 ? 34.658 23.701 17.308 1.00 5.03  ? 2  UMS A "C1'"  1 
HETATM 32  C  "CA'"  . UMS A 1 2 ? 37.365 23.453 14.909 0.88 7.02  ? 2  UMS A "CA'"  1 
HETATM 33  N  N1     . UMS A 1 2 ? 34.318 22.517 18.170 1.00 5.32  ? 2  UMS A N1     1 
HETATM 34  C  C2     . UMS A 1 2 ? 35.270 21.530 18.313 1.00 4.91  ? 2  UMS A C2     1 
HETATM 35  O  O2     . UMS A 1 2 ? 36.351 21.572 17.761 1.00 5.59  ? 2  UMS A O2     1 
HETATM 36  N  N3     . UMS A 1 2 ? 34.906 20.476 19.116 1.00 4.91  ? 2  UMS A N3     1 
HETATM 37  C  C4     . UMS A 1 2 ? 33.705 20.311 19.788 1.00 4.66  ? 2  UMS A C4     1 
HETATM 38  O  O4     . UMS A 1 2 ? 33.534 19.305 20.471 1.00 5.75  ? 2  UMS A O4     1 
HETATM 39  C  C5     . UMS A 1 2 ? 32.753 21.382 19.599 1.00 4.77  ? 2  UMS A C5     1 
HETATM 40  C  C6     . UMS A 1 2 ? 33.095 22.418 18.814 1.00 5.07  ? 2  UMS A C6     1 
ATOM   41  P  P      . DG  A 1 3 ? 31.983 23.643 13.223 1.00 9.86  ? 3  DG  A P      1 
ATOM   42  O  OP1    . DG  A 1 3 ? 31.684 24.543 12.085 1.00 11.09 ? 3  DG  A OP1    1 
ATOM   43  O  OP2    . DG  A 1 3 ? 30.911 22.848 13.853 1.00 11.41 ? 3  DG  A OP2    1 
ATOM   44  O  "O5'"  . DG  A 1 3 ? 33.185 22.663 12.823 1.00 8.74  ? 3  DG  A "O5'"  1 
ATOM   45  C  "C5'"  . DG  A 1 3 ? 33.018 21.260 12.784 1.00 7.61  ? 3  DG  A "C5'"  1 
ATOM   46  C  "C4'"  . DG  A 1 3 ? 34.386 20.620 12.859 1.00 7.05  ? 3  DG  A "C4'"  1 
ATOM   47  O  "O4'"  . DG  A 1 3 ? 34.896 20.768 14.207 1.00 6.57  ? 3  DG  A "O4'"  1 
ATOM   48  C  "C3'"  . DG  A 1 3 ? 34.395 19.128 12.582 1.00 6.55  ? 3  DG  A "C3'"  1 
ATOM   49  O  "O3'"  . DG  A 1 3 ? 34.552 18.925 11.182 1.00 6.96  ? 3  DG  A "O3'"  1 
ATOM   50  C  "C2'"  . DG  A 1 3 ? 35.619 18.684 13.377 1.00 5.93  ? 3  DG  A "C2'"  1 
ATOM   51  C  "C1'"  . DG  A 1 3 ? 35.544 19.578 14.613 1.00 5.56  ? 3  DG  A "C1'"  1 
ATOM   52  N  N9     . DG  A 1 3 ? 34.775 18.977 15.698 1.00 5.02  ? 3  DG  A N9     1 
ATOM   53  C  C8     . DG  A 1 3 ? 33.568 19.395 16.209 1.00 5.41  ? 3  DG  A C8     1 
ATOM   54  N  N7     . DG  A 1 3 ? 33.122 18.639 17.173 1.00 5.58  ? 3  DG  A N7     1 
ATOM   55  C  C5     . DG  A 1 3 ? 34.097 17.657 17.311 1.00 5.38  ? 3  DG  A C5     1 
ATOM   56  C  C6     . DG  A 1 3 ? 34.173 16.553 18.197 1.00 4.89  ? 3  DG  A C6     1 
ATOM   57  O  O6     . DG  A 1 3 ? 33.363 16.220 19.069 1.00 5.31  ? 3  DG  A O6     1 
ATOM   58  N  N1     . DG  A 1 3 ? 35.332 15.798 18.009 1.00 4.84  ? 3  DG  A N1     1 
ATOM   59  C  C2     . DG  A 1 3 ? 36.302 16.072 17.071 1.00 4.79  ? 3  DG  A C2     1 
ATOM   60  N  N2     . DG  A 1 3 ? 37.352 15.242 17.023 1.00 5.14  ? 3  DG  A N2     1 
ATOM   61  N  N3     . DG  A 1 3 ? 36.247 17.103 16.235 1.00 5.12  ? 3  DG  A N3     1 
ATOM   62  C  C4     . DG  A 1 3 ? 35.123 17.850 16.411 1.00 4.94  ? 3  DG  A C4     1 
HETATM 63  P  P      . T5S A 1 4 ? 34.057 17.578 10.466 1.00 7.13  ? 4  T5S A P      1 
HETATM 64  O  OP1    . T5S A 1 4 ? 34.419 17.701 9.038  1.00 8.28  ? 4  T5S A OP1    1 
HETATM 65  O  OP2    . T5S A 1 4 ? 32.644 17.343 10.830 1.00 8.48  ? 4  T5S A OP2    1 
HETATM 66  O  "O5'"  . T5S A 1 4 ? 34.945 16.435 11.137 1.00 6.87  ? 4  T5S A "O5'"  1 
HETATM 67  N  N1     . T5S A 1 4 ? 35.383 14.018 14.427 1.00 5.53  ? 4  T5S A N1     1 
HETATM 68  C  C6     . T5S A 1 4 ? 34.442 15.013 14.226 1.00 5.78  ? 4  T5S A C6     1 
HETATM 69  C  C2     . T5S A 1 4 ? 35.206 13.051 15.397 1.00 5.36  ? 4  T5S A C2     1 
HETATM 70  O  O2     . T5S A 1 4 ? 35.994 12.150 15.607 1.00 5.22  ? 4  T5S A O2     1 
HETATM 71  N  N3     . T5S A 1 4 ? 34.055 13.173 16.133 1.00 5.10  ? 4  T5S A N3     1 
HETATM 72  C  C4     . T5S A 1 4 ? 33.078 14.136 15.979 1.00 5.72  ? 4  T5S A C4     1 
HETATM 73  O  O4     . T5S A 1 4 ? 32.086 14.144 16.693 1.00 5.53  ? 4  T5S A O4     1 
HETATM 74  C  C5     . T5S A 1 4 ? 33.317 15.118 14.946 1.00 5.71  ? 4  T5S A C5     1 
HETATM 75  SE SE     . T5S A 1 4 ? 32.054 16.519 14.626 0.88 8.28  ? 4  T5S A SE     1 
HETATM 76  C  CH3    . T5S A 1 4 ? 30.728 15.762 13.462 0.88 8.16  ? 4  T5S A CH3    1 
HETATM 77  C  "C2'"  . T5S A 1 4 ? 36.545 12.931 12.468 1.00 5.03  ? 4  T5S A "C2'"  1 
HETATM 78  C  "C5'"  . T5S A 1 4 ? 36.328 16.280 10.816 1.00 5.54  ? 4  T5S A "C5'"  1 
HETATM 79  C  "C4'"  . T5S A 1 4 ? 36.882 15.060 11.527 1.00 5.13  ? 4  T5S A "C4'"  1 
HETATM 80  O  "O4'"  . T5S A 1 4 ? 36.842 15.234 12.968 1.00 5.57  ? 4  T5S A "O4'"  1 
HETATM 81  C  "C1'"  . T5S A 1 4 ? 36.619 13.971 13.581 1.00 6.01  ? 4  T5S A "C1'"  1 
HETATM 82  C  "C3'"  . T5S A 1 4 ? 36.082 13.787 11.296 1.00 5.10  ? 4  T5S A "C3'"  1 
HETATM 83  O  "O3'"  . T5S A 1 4 ? 36.414 13.232 10.028 1.00 5.36  ? 4  T5S A "O3'"  1 
ATOM   84  P  P      . DA  A 1 5 ? 35.449 12.183 9.305  1.00 6.55  ? 5  DA  A P      1 
ATOM   85  O  OP1    . DA  A 1 5 ? 35.854 12.154 7.886  1.00 7.15  ? 5  DA  A OP1    1 
ATOM   86  O  OP2    . DA  A 1 5 ? 34.034 12.462 9.642  1.00 8.30  ? 5  DA  A OP2    1 
ATOM   87  O  "O5'"  . DA  A 1 5 ? 35.897 10.811 9.995  1.00 5.34  ? 5  DA  A "O5'"  1 
ATOM   88  C  "C5'"  . DA  A 1 5 ? 34.985 9.755  10.242 1.00 4.95  ? 5  DA  A "C5'"  1 
ATOM   89  C  "C4'"  . DA  A 1 5 ? 35.546 8.901  11.362 1.00 4.52  ? 5  DA  A "C4'"  1 
ATOM   90  O  "O4'"  . DA  A 1 5 ? 35.723 9.711  12.551 1.00 4.83  ? 5  DA  A "O4'"  1 
ATOM   91  C  "C3'"  . DA  A 1 5 ? 34.660 7.743  11.784 1.00 4.46  ? 5  DA  A "C3'"  1 
ATOM   92  O  "O3'"  . DA  A 1 5 ? 34.993 6.616  10.994 1.00 5.02  ? 5  DA  A "O3'"  1 
ATOM   93  C  "C2'"  . DA  A 1 5 ? 35.043 7.567  13.246 1.00 4.74  ? 5  DA  A "C2'"  1 
ATOM   94  C  "C1'"  . DA  A 1 5 ? 35.204 9.018  13.668 1.00 4.80  ? 5  DA  A "C1'"  1 
ATOM   95  N  N9     . DA  A 1 5 ? 33.978 9.689  14.117 1.00 4.54  ? 5  DA  A N9     1 
ATOM   96  C  C8     . DA  A 1 5 ? 33.342 10.750 13.525 1.00 4.51  ? 5  DA  A C8     1 
ATOM   97  N  N7     . DA  A 1 5 ? 32.278 11.169 14.167 1.00 4.64  ? 5  DA  A N7     1 
ATOM   98  C  C5     . DA  A 1 5 ? 32.212 10.331 15.269 1.00 4.56  ? 5  DA  A C5     1 
ATOM   99  C  C6     . DA  A 1 5 ? 31.311 10.247 16.353 1.00 4.40  ? 5  DA  A C6     1 
ATOM   100 N  N6     . DA  A 1 5 ? 30.270 11.069 16.497 1.00 4.88  ? 5  DA  A N6     1 
ATOM   101 N  N1     . DA  A 1 5 ? 31.529 9.294  17.292 1.00 4.27  ? 5  DA  A N1     1 
ATOM   102 C  C2     . DA  A 1 5 ? 32.577 8.470  17.138 1.00 4.55  ? 5  DA  A C2     1 
ATOM   103 N  N3     . DA  A 1 5 ? 33.489 8.459  16.162 1.00 4.15  ? 5  DA  A N3     1 
ATOM   104 C  C4     . DA  A 1 5 ? 33.249 9.416  15.253 1.00 3.98  ? 5  DA  A C4     1 
ATOM   105 P  P      . DC  A 1 6 ? 33.838 5.610  10.536 1.00 5.36  ? 6  DC  A P      1 
ATOM   106 O  OP1    . DC  A 1 6 ? 34.507 4.558  9.744  1.00 7.03  ? 6  DC  A OP1    1 
ATOM   107 O  OP2    . DC  A 1 6 ? 32.712 6.374  9.962  1.00 6.61  ? 6  DC  A OP2    1 
ATOM   108 O  "O5'"  . DC  A 1 6 ? 33.311 4.989  11.914 1.00 5.64  ? 6  DC  A "O5'"  1 
ATOM   109 C  "C5'"  . DC  A 1 6 ? 34.125 4.073  12.633 1.00 5.76  ? 6  DC  A "C5'"  1 
ATOM   110 C  "C4'"  . DC  A 1 6 ? 33.463 3.737  13.954 1.00 6.47  ? 6  DC  A "C4'"  1 
ATOM   111 O  "O4'"  . DC  A 1 6 ? 33.314 4.927  14.770 1.00 5.99  ? 6  DC  A "O4'"  1 
ATOM   112 C  "C3'"  . DC  A 1 6 ? 32.040 3.219  13.826 1.00 6.89  ? 6  DC  A "C3'"  1 
ATOM   113 O  "O3'"  . DC  A 1 6 ? 32.055 1.858  13.439 1.00 8.00  ? 6  DC  A "O3'"  1 
ATOM   114 C  "C2'"  . DC  A 1 6 ? 31.532 3.433  15.245 1.00 7.02  ? 6  DC  A "C2'"  1 
ATOM   115 C  "C1'"  . DC  A 1 6 ? 32.110 4.818  15.516 1.00 6.42  ? 6  DC  A "C1'"  1 
ATOM   116 N  N1     . DC  A 1 6 ? 31.188 5.952  15.169 1.00 5.91  ? 6  DC  A N1     1 
ATOM   117 C  C2     . DC  A 1 6 ? 30.145 6.247  16.057 1.00 5.98  ? 6  DC  A C2     1 
ATOM   118 O  O2     . DC  A 1 6 ? 30.017 5.564  17.086 1.00 6.50  ? 6  DC  A O2     1 
ATOM   119 N  N3     . DC  A 1 6 ? 29.311 7.280  15.761 1.00 5.13  ? 6  DC  A N3     1 
ATOM   120 C  C4     . DC  A 1 6 ? 29.469 7.992  14.642 1.00 5.71  ? 6  DC  A C4     1 
ATOM   121 N  N4     . DC  A 1 6 ? 28.613 8.995  14.417 1.00 6.54  ? 6  DC  A N4     1 
ATOM   122 C  C5     . DC  A 1 6 ? 30.520 7.699  13.716 1.00 5.67  ? 6  DC  A C5     1 
ATOM   123 C  C6     . DC  A 1 6 ? 31.346 6.688  14.018 1.00 5.72  ? 6  DC  A C6     1 
ATOM   124 P  P      . DA  A 1 7 ? 30.814 1.215  12.658 1.00 8.49  ? 7  DA  A P      1 
ATOM   125 O  OP1    . DA  A 1 7 ? 31.226 -0.127 12.178 1.00 8.77  ? 7  DA  A OP1    1 
ATOM   126 O  OP2    . DA  A 1 7 ? 30.263 2.207  11.703 1.00 8.88  ? 7  DA  A OP2    1 
ATOM   127 O  "O5'"  . DA  A 1 7 ? 29.747 1.036  13.829 1.00 7.00  ? 7  DA  A "O5'"  1 
ATOM   128 C  "C5'"  . DA  A 1 7 ? 29.983 0.130  14.902 1.00 7.34  ? 7  DA  A "C5'"  1 
ATOM   129 C  "C4'"  . DA  A 1 7 ? 28.788 0.172  15.827 1.00 6.93  ? 7  DA  A "C4'"  1 
ATOM   130 O  "O4'"  . DA  A 1 7 ? 28.659 1.500  16.385 1.00 7.14  ? 7  DA  A "O4'"  1 
ATOM   131 C  "C3'"  . DA  A 1 7 ? 27.462 -0.078 15.137 1.00 6.93  ? 7  DA  A "C3'"  1 
ATOM   132 O  "O3'"  . DA  A 1 7 ? 27.233 -1.470 15.108 1.00 7.09  ? 7  DA  A "O3'"  1 
ATOM   133 C  "C2'"  . DA  A 1 7 ? 26.463 0.643  16.031 1.00 7.14  ? 7  DA  A "C2'"  1 
ATOM   134 C  "C1'"  . DA  A 1 7 ? 27.289 1.824  16.510 1.00 6.07  ? 7  DA  A "C1'"  1 
ATOM   135 N  N9     . DA  A 1 7 ? 27.098 3.086  15.806 1.00 5.41  ? 7  DA  A N9     1 
ATOM   136 C  C8     . DA  A 1 7 ? 27.831 3.576  14.759 1.00 5.56  ? 7  DA  A C8     1 
ATOM   137 N  N7     . DA  A 1 7 ? 27.441 4.761  14.355 1.00 5.56  ? 7  DA  A N7     1 
ATOM   138 C  C5     . DA  A 1 7 ? 26.384 5.070  15.201 1.00 4.93  ? 7  DA  A C5     1 
ATOM   139 C  C6     . DA  A 1 7 ? 25.532 6.194  15.302 1.00 4.84  ? 7  DA  A C6     1 
ATOM   140 N  N6     . DA  A 1 7 ? 25.625 7.267  14.512 1.00 5.17  ? 7  DA  A N6     1 
ATOM   141 N  N1     . DA  A 1 7 ? 24.574 6.171  16.260 1.00 5.30  ? 7  DA  A N1     1 
ATOM   142 C  C2     . DA  A 1 7 ? 24.473 5.103  17.060 1.00 5.92  ? 7  DA  A C2     1 
ATOM   143 N  N3     . DA  A 1 7 ? 25.214 3.993  17.061 1.00 5.90  ? 7  DA  A N3     1 
ATOM   144 C  C4     . DA  A 1 7 ? 26.160 4.045  16.102 1.00 5.50  ? 7  DA  A C4     1 
ATOM   145 P  P      . DC  A 1 8 ? 26.315 -2.093 13.957 1.00 7.72  ? 8  DC  A P      1 
ATOM   146 O  OP1    . DC  A 1 8 ? 26.388 -3.565 14.089 1.00 7.36  ? 8  DC  A OP1    1 
ATOM   147 O  OP2    . DC  A 1 8 ? 26.689 -1.485 12.661 1.00 9.08  ? 8  DC  A OP2    1 
ATOM   148 O  "O5'"  . DC  A 1 8 ? 24.843 -1.611 14.332 1.00 7.42  ? 8  DC  A "O5'"  1 
ATOM   149 C  "C5'"  . DC  A 1 8 ? 24.214 -2.120 15.509 1.00 8.16  ? 8  DC  A "C5'"  1 
ATOM   150 C  "C4'"  . DC  A 1 8 ? 22.854 -1.480 15.703 1.00 8.42  ? 8  DC  A "C4'"  1 
ATOM   151 O  "O4'"  . DC  A 1 8 ? 23.033 -0.042 15.756 1.00 8.35  ? 8  DC  A "O4'"  1 
ATOM   152 C  "C3'"  . DC  A 1 8 ? 21.846 -1.769 14.590 1.00 9.27  ? 8  DC  A "C3'"  1 
ATOM   153 O  "O3'"  . DC  A 1 8 ? 20.596 -2.123 15.149 1.00 10.55 ? 8  DC  A "O3'"  1 
ATOM   154 C  "C2'"  . DC  A 1 8 ? 21.733 -0.453 13.832 1.00 8.99  ? 8  DC  A "C2'"  1 
ATOM   155 C  "C1'"  . DC  A 1 8 ? 22.108 0.579  14.895 1.00 7.93  ? 8  DC  A "C1'"  1 
ATOM   156 N  N1     . DC  A 1 8 ? 22.731 1.789  14.295 1.00 7.46  ? 8  DC  A N1     1 
ATOM   157 C  C2     . DC  A 1 8 ? 22.177 3.060  14.528 1.00 7.25  ? 8  DC  A C2     1 
ATOM   158 O  O2     . DC  A 1 8 ? 21.181 3.176  15.254 1.00 7.24  ? 8  DC  A O2     1 
ATOM   159 N  N3     . DC  A 1 8 ? 22.753 4.138  13.941 1.00 6.50  ? 8  DC  A N3     1 
ATOM   160 C  C4     . DC  A 1 8 ? 23.832 3.993  13.158 1.00 6.86  ? 8  DC  A C4     1 
ATOM   161 N  N4     . DC  A 1 8 ? 24.363 5.085  12.596 1.00 6.90  ? 8  DC  A N4     1 
ATOM   162 C  C5     . DC  A 1 8 ? 24.417 2.711  12.914 1.00 6.57  ? 8  DC  A C5     1 
ATOM   163 C  C6     . DC  A 1 8 ? 23.838 1.652  13.492 1.00 6.87  ? 8  DC  A C6     1 
HETATM 164 O  O      . HOH B 2 . ? 38.531 17.593 14.611 1.00 16.87 ? 9  HOH A O      1 
HETATM 165 O  O      . HOH B 2 . ? 38.818 25.168 17.820 1.00 20.57 ? 10 HOH A O      1 
HETATM 166 O  O      . HOH B 2 . ? 20.036 2.468  12.200 1.00 15.70 ? 11 HOH A O      1 
HETATM 167 O  O      . HOH B 2 . ? 31.385 17.174 20.625 1.00 16.98 ? 12 HOH A O      1 
HETATM 168 O  O      . HOH B 2 . ? 29.446 14.752 16.744 1.00 17.89 ? 13 HOH A O      1 
HETATM 169 O  O      . HOH B 2 . ? 28.248 26.365 15.227 1.00 24.97 ? 14 HOH A O      1 
HETATM 170 O  O      . HOH B 2 . ? 30.812 21.168 15.625 1.00 18.90 ? 15 HOH A O      1 
HETATM 171 O  O      . HOH B 2 . ? 30.489 18.748 11.707 1.00 22.38 ? 16 HOH A O      1 
HETATM 172 O  O      . HOH B 2 . ? 28.156 22.827 21.297 1.00 19.84 ? 17 HOH A O      1 
HETATM 173 O  O      . HOH B 2 . ? 21.786 -4.494 16.796 1.00 20.35 ? 18 HOH A O      1 
HETATM 174 O  O      . HOH B 2 . ? 37.202 10.154 6.607  1.00 17.63 ? 19 HOH A O      1 
HETATM 175 O  O      . HOH B 2 . ? 34.537 25.101 10.520 1.00 35.09 ? 20 HOH A O      1 
HETATM 176 O  O      . HOH B 2 . ? 29.230 21.260 17.814 1.00 20.25 ? 21 HOH A O      1 
HETATM 177 O  O      . HOH B 2 . ? 33.515 7.352  7.498  1.00 19.82 ? 22 HOH A O      1 
HETATM 178 O  O      . HOH B 2 . ? 31.508 8.951  10.497 1.00 18.80 ? 23 HOH A O      1 
HETATM 179 O  O      . HOH B 2 . ? 29.764 19.023 14.263 1.00 23.42 ? 24 HOH A O      1 
HETATM 180 O  O      . HOH B 2 . ? 31.921 11.047 8.901  1.00 22.19 ? 25 HOH A O      1 
HETATM 181 O  O      . HOH B 2 . ? 36.941 3.452  10.552 1.00 22.52 ? 26 HOH A O      1 
HETATM 182 O  O      . HOH B 2 . ? 27.781 2.335  10.707 1.00 22.24 ? 27 HOH A O      1 
HETATM 183 O  O      . HOH B 2 . ? 28.322 13.175 14.755 1.00 21.07 ? 28 HOH A O      1 
HETATM 184 O  O      . HOH B 2 . ? 31.521 20.208 24.199 1.00 26.22 ? 29 HOH A O      1 
HETATM 185 O  O      . HOH B 2 . ? 39.983 20.355 15.769 1.00 19.92 ? 30 HOH A O      1 
HETATM 186 O  O      . HOH B 2 . ? 29.061 4.714  12.130 1.00 20.78 ? 31 HOH A O      1 
HETATM 187 O  O      . HOH B 2 . ? 36.495 20.301 8.933  1.00 29.84 ? 32 HOH A O      1 
HETATM 188 O  O      . HOH B 2 . ? 27.453 6.888  11.816 1.00 33.03 ? 33 HOH A O      1 
HETATM 189 O  O      . HOH B 2 . ? 36.432 7.783  7.687  1.00 20.77 ? 34 HOH A O      1 
HETATM 190 O  O      . HOH B 2 . ? 29.176 -1.990 11.615 1.00 31.82 ? 35 HOH A O      1 
HETATM 191 O  O      . HOH B 2 . ? 24.635 8.922  11.490 1.00 17.80 ? 36 HOH A O      1 
HETATM 192 O  O      . HOH B 2 . ? 30.242 5.374  9.961  1.00 32.20 ? 37 HOH A O      1 
HETATM 193 O  O      . HOH B 2 . ? 29.310 12.117 8.408  1.00 31.24 ? 38 HOH A O      1 
HETATM 194 O  O      . HOH B 2 . ? 35.861 6.899  16.508 1.00 8.45  ? 39 HOH A O      1 
HETATM 195 O  O      . HOH B 2 . ? 36.922 4.646  15.269 1.00 12.49 ? 40 HOH A O      1 
HETATM 196 O  O      . HOH B 2 . ? 26.388 26.656 18.725 1.00 13.55 ? 41 HOH A O      1 
HETATM 197 O  O      . HOH B 2 . ? 38.998 22.184 17.819 1.00 15.44 ? 42 HOH A O      1 
HETATM 198 O  O      . HOH B 2 . ? 35.904 2.056  15.929 1.00 17.40 ? 43 HOH A O      1 
HETATM 199 O  O      . HOH B 2 . ? 26.313 -4.830 16.502 1.00 13.37 ? 44 HOH A O      1 
HETATM 200 O  O      . HOH B 2 . ? 29.936 11.987 12.891 1.00 21.42 ? 45 HOH A O      1 
HETATM 201 O  O      . HOH B 2 . ? 30.603 18.836 18.320 1.00 17.51 ? 46 HOH A O      1 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1 DG  1 1 1 DG  G   A . n 
A 1 2 UMS 2 2 2 UMS UMS A . n 
A 1 3 DG  3 3 3 DG  G   A . n 
A 1 4 T5S 4 4 4 T5S T5S A . n 
A 1 5 DA  5 5 5 DA  A   A . n 
A 1 6 DC  6 6 6 DC  C   A . n 
A 1 7 DA  7 7 7 DA  A   A . n 
A 1 8 DC  8 8 8 DC  C   A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1  9  9  HOH HOH A . 
B 2 HOH 2  10 10 HOH HOH A . 
B 2 HOH 3  11 11 HOH HOH A . 
B 2 HOH 4  12 12 HOH HOH A . 
B 2 HOH 5  13 13 HOH HOH A . 
B 2 HOH 6  14 14 HOH HOH A . 
B 2 HOH 7  15 15 HOH HOH A . 
B 2 HOH 8  16 16 HOH HOH A . 
B 2 HOH 9  17 17 HOH HOH A . 
B 2 HOH 10 18 18 HOH HOH A . 
B 2 HOH 11 19 19 HOH HOH A . 
B 2 HOH 12 20 20 HOH HOH A . 
B 2 HOH 13 21 21 HOH HOH A . 
B 2 HOH 14 22 22 HOH HOH A . 
B 2 HOH 15 23 23 HOH HOH A . 
B 2 HOH 16 24 24 HOH HOH A . 
B 2 HOH 17 25 25 HOH HOH A . 
B 2 HOH 18 26 26 HOH HOH A . 
B 2 HOH 19 27 27 HOH HOH A . 
B 2 HOH 20 28 28 HOH HOH A . 
B 2 HOH 21 29 29 HOH HOH A . 
B 2 HOH 22 30 30 HOH HOH A . 
B 2 HOH 23 31 31 HOH HOH A . 
B 2 HOH 24 32 32 HOH HOH A . 
B 2 HOH 25 33 33 HOH HOH A . 
B 2 HOH 26 34 34 HOH HOH A . 
B 2 HOH 27 35 35 HOH HOH A . 
B 2 HOH 28 36 36 HOH HOH A . 
B 2 HOH 29 37 37 HOH HOH A . 
B 2 HOH 30 38 38 HOH HOH A . 
B 2 HOH 31 39 1  HOH HOH A . 
B 2 HOH 32 40 2  HOH HOH A . 
B 2 HOH 33 41 3  HOH HOH A . 
B 2 HOH 34 42 4  HOH HOH A . 
B 2 HOH 35 43 5  HOH HOH A . 
B 2 HOH 36 44 6  HOH HOH A . 
B 2 HOH 37 45 7  HOH HOH A . 
B 2 HOH 38 46 8  HOH HOH A . 
# 
loop_
_pdbx_struct_mod_residue.id 
_pdbx_struct_mod_residue.label_asym_id 
_pdbx_struct_mod_residue.label_comp_id 
_pdbx_struct_mod_residue.label_seq_id 
_pdbx_struct_mod_residue.auth_asym_id 
_pdbx_struct_mod_residue.auth_comp_id 
_pdbx_struct_mod_residue.auth_seq_id 
_pdbx_struct_mod_residue.PDB_ins_code 
_pdbx_struct_mod_residue.parent_comp_id 
_pdbx_struct_mod_residue.details 
1 A UMS 2 A UMS 2 ? DU ? 
2 A T5S 4 A T5S 4 ? DT ? 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1930 ? 
1 MORE         8    ? 
1 'SSA (A^2)'  2950 ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z            1.0000000000 0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000 0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000  0.0000000000  
2 'crystal symmetry operation' 8_666 -y+1,-x+1,-z+3/2 0.0000000000 -1.0000000000 0.0000000000 43.0780000000 -1.0000000000 
0.0000000000 0.0000000000 43.0780000000 0.0000000000 0.0000000000 -1.0000000000 35.7210000000 
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2010-03-09 
2 'Structure model' 1 1 2011-07-13 
3 'Structure model' 1 2 2012-06-13 
4 'Structure model' 1 3 2012-09-26 
5 'Structure model' 1 4 2023-08-02 
6 'Structure model' 1 5 2023-09-06 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' Advisory                    
2 2 'Structure model' 'Version format compliance' 
3 3 'Structure model' 'Database references'       
4 4 'Structure model' 'Database references'       
5 5 'Structure model' 'Database references'       
6 5 'Structure model' 'Derived calculations'      
7 5 'Structure model' 'Source and taxonomy'       
8 6 'Structure model' 'Data collection'           
9 6 'Structure model' 'Refinement description'    
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 5 'Structure model' citation                      
2 5 'Structure model' citation_author               
3 5 'Structure model' database_2                    
4 5 'Structure model' pdbx_entity_src_syn           
5 5 'Structure model' struct_conn                   
6 6 'Structure model' chem_comp_atom                
7 6 'Structure model' chem_comp_bond                
8 6 'Structure model' pdbx_initial_refinement_model 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  5 'Structure model' '_citation.country'                        
2  5 'Structure model' '_citation.journal_abbrev'                 
3  5 'Structure model' '_citation.journal_id_ASTM'                
4  5 'Structure model' '_citation.journal_id_CSD'                 
5  5 'Structure model' '_citation.journal_id_ISSN'                
6  5 'Structure model' '_citation.journal_volume'                 
7  5 'Structure model' '_citation.page_first'                     
8  5 'Structure model' '_citation.page_last'                      
9  5 'Structure model' '_citation.pdbx_database_id_DOI'           
10 5 'Structure model' '_citation.pdbx_database_id_PubMed'        
11 5 'Structure model' '_citation.title'                          
12 5 'Structure model' '_citation.year'                           
13 5 'Structure model' '_database_2.pdbx_DOI'                     
14 5 'Structure model' '_database_2.pdbx_database_accession'      
15 5 'Structure model' '_pdbx_entity_src_syn.ncbi_taxonomy_id'    
16 5 'Structure model' '_pdbx_entity_src_syn.organism_scientific' 
17 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'      
# 
loop_
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][3] 
'X-RAY DIFFRACTION' 1 ? refined 33.9031 20.2126 16.8362 0.0719 0.0380 0.0470 0.0147 0.0055  -0.0006 0.1441 6.3663 0.0406 -0.1149 
0.0753  -0.1495 -0.0140 0.0183  0.0258  -0.3213 0.0111 0.0113 -0.0236 0.0188 0.0030  
'X-RAY DIFFRACTION' 2 ? refined 29.2432 4.6948  14.0775 0.0450 0.0206 0.0344 0.0050 -0.0106 -0.0028 3.4846 4.0041 1.9687 2.5919  
-0.8465 -1.0934 -0.0736 -0.0286 -0.0367 -0.1712 0.0940 0.0264 0.1441  0.0326 -0.0204 
# 
loop_
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
'X-RAY DIFFRACTION' 1 1 A 1 ? ? A 4 ? ? ? ? 
'X-RAY DIFFRACTION' 2 2 A 5 ? ? A 8 ? ? ? ? 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
CBASS    'data collection' .        ? 1 
PHASES   phasing           .        ? 2 
REFMAC   refinement        5.2.0019 ? 3 
HKL-2000 'data reduction'  .        ? 4 
HKL-2000 'data scaling'    .        ? 5 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
DA  OP3    O  N N 1   
DA  P      P  N N 2   
DA  OP1    O  N N 3   
DA  OP2    O  N N 4   
DA  "O5'"  O  N N 5   
DA  "C5'"  C  N N 6   
DA  "C4'"  C  N R 7   
DA  "O4'"  O  N N 8   
DA  "C3'"  C  N S 9   
DA  "O3'"  O  N N 10  
DA  "C2'"  C  N N 11  
DA  "C1'"  C  N R 12  
DA  N9     N  Y N 13  
DA  C8     C  Y N 14  
DA  N7     N  Y N 15  
DA  C5     C  Y N 16  
DA  C6     C  Y N 17  
DA  N6     N  N N 18  
DA  N1     N  Y N 19  
DA  C2     C  Y N 20  
DA  N3     N  Y N 21  
DA  C4     C  Y N 22  
DA  HOP3   H  N N 23  
DA  HOP2   H  N N 24  
DA  "H5'"  H  N N 25  
DA  "H5''" H  N N 26  
DA  "H4'"  H  N N 27  
DA  "H3'"  H  N N 28  
DA  "HO3'" H  N N 29  
DA  "H2'"  H  N N 30  
DA  "H2''" H  N N 31  
DA  "H1'"  H  N N 32  
DA  H8     H  N N 33  
DA  H61    H  N N 34  
DA  H62    H  N N 35  
DA  H2     H  N N 36  
DC  OP3    O  N N 37  
DC  P      P  N N 38  
DC  OP1    O  N N 39  
DC  OP2    O  N N 40  
DC  "O5'"  O  N N 41  
DC  "C5'"  C  N N 42  
DC  "C4'"  C  N R 43  
DC  "O4'"  O  N N 44  
DC  "C3'"  C  N S 45  
DC  "O3'"  O  N N 46  
DC  "C2'"  C  N N 47  
DC  "C1'"  C  N R 48  
DC  N1     N  N N 49  
DC  C2     C  N N 50  
DC  O2     O  N N 51  
DC  N3     N  N N 52  
DC  C4     C  N N 53  
DC  N4     N  N N 54  
DC  C5     C  N N 55  
DC  C6     C  N N 56  
DC  HOP3   H  N N 57  
DC  HOP2   H  N N 58  
DC  "H5'"  H  N N 59  
DC  "H5''" H  N N 60  
DC  "H4'"  H  N N 61  
DC  "H3'"  H  N N 62  
DC  "HO3'" H  N N 63  
DC  "H2'"  H  N N 64  
DC  "H2''" H  N N 65  
DC  "H1'"  H  N N 66  
DC  H41    H  N N 67  
DC  H42    H  N N 68  
DC  H5     H  N N 69  
DC  H6     H  N N 70  
DG  OP3    O  N N 71  
DG  P      P  N N 72  
DG  OP1    O  N N 73  
DG  OP2    O  N N 74  
DG  "O5'"  O  N N 75  
DG  "C5'"  C  N N 76  
DG  "C4'"  C  N R 77  
DG  "O4'"  O  N N 78  
DG  "C3'"  C  N S 79  
DG  "O3'"  O  N N 80  
DG  "C2'"  C  N N 81  
DG  "C1'"  C  N R 82  
DG  N9     N  Y N 83  
DG  C8     C  Y N 84  
DG  N7     N  Y N 85  
DG  C5     C  Y N 86  
DG  C6     C  N N 87  
DG  O6     O  N N 88  
DG  N1     N  N N 89  
DG  C2     C  N N 90  
DG  N2     N  N N 91  
DG  N3     N  N N 92  
DG  C4     C  Y N 93  
DG  HOP3   H  N N 94  
DG  HOP2   H  N N 95  
DG  "H5'"  H  N N 96  
DG  "H5''" H  N N 97  
DG  "H4'"  H  N N 98  
DG  "H3'"  H  N N 99  
DG  "HO3'" H  N N 100 
DG  "H2'"  H  N N 101 
DG  "H2''" H  N N 102 
DG  "H1'"  H  N N 103 
DG  H8     H  N N 104 
DG  H1     H  N N 105 
DG  H21    H  N N 106 
DG  H22    H  N N 107 
HOH O      O  N N 108 
HOH H1     H  N N 109 
HOH H2     H  N N 110 
T5S OP3    O  N N 111 
T5S P      P  N N 112 
T5S OP1    O  N N 113 
T5S OP2    O  N N 114 
T5S "O5'"  O  N N 115 
T5S N1     N  N N 116 
T5S C6     C  N N 117 
T5S C2     C  N N 118 
T5S O2     O  N N 119 
T5S N3     N  N N 120 
T5S C4     C  N N 121 
T5S O4     O  N N 122 
T5S C5     C  N N 123 
T5S SE     SE N N 124 
T5S CH3    C  N N 125 
T5S "C2'"  C  N N 126 
T5S "C5'"  C  N N 127 
T5S "C4'"  C  N R 128 
T5S "O4'"  O  N N 129 
T5S "C1'"  C  N R 130 
T5S "C3'"  C  N S 131 
T5S "O3'"  O  N N 132 
T5S HOP3   H  N N 133 
T5S HOP2   H  N N 134 
T5S H6     H  N N 135 
T5S HN3    H  N N 136 
T5S HH3    H  N N 137 
T5S HH3A   H  N N 138 
T5S HH3B   H  N N 139 
T5S "H2'"  H  N N 140 
T5S "H2'A" H  N N 141 
T5S "H5'"  H  N N 142 
T5S "H5'A" H  N N 143 
T5S "H4'"  H  N N 144 
T5S "H1'"  H  N N 145 
T5S "H3'"  H  N N 146 
T5S "HO3'" H  N N 147 
UMS OP3    O  N N 148 
UMS P      P  N N 149 
UMS OP1    O  N N 150 
UMS OP2    O  N N 151 
UMS "O5'"  O  N N 152 
UMS "C5'"  C  N N 153 
UMS "C4'"  C  N R 154 
UMS "O4'"  O  N N 155 
UMS "C3'"  C  N R 156 
UMS "O3'"  O  N N 157 
UMS "C2'"  C  N R 158 
UMS "SE2'" SE N N 159 
UMS "C1'"  C  N R 160 
UMS "CA'"  C  N N 161 
UMS N1     N  N N 162 
UMS C2     C  N N 163 
UMS O2     O  N N 164 
UMS N3     N  N N 165 
UMS C4     C  N N 166 
UMS O4     O  N N 167 
UMS C5     C  N N 168 
UMS C6     C  N N 169 
UMS HOP3   H  N N 170 
UMS HOP2   H  N N 171 
UMS "H5'"  H  N N 172 
UMS "H5'2" H  N N 173 
UMS "H4'"  H  N N 174 
UMS "H3'"  H  N N 175 
UMS "HO3'" H  N N 176 
UMS "H2'"  H  N N 177 
UMS "H1'"  H  N N 178 
UMS "HA'"  H  N N 179 
UMS "HA'2" H  N N 180 
UMS "HA'3" H  N N 181 
UMS H3     H  N N 182 
UMS H5     H  N N 183 
UMS H6     H  N N 184 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
DA  OP3    P      sing N N 1   
DA  OP3    HOP3   sing N N 2   
DA  P      OP1    doub N N 3   
DA  P      OP2    sing N N 4   
DA  P      "O5'"  sing N N 5   
DA  OP2    HOP2   sing N N 6   
DA  "O5'"  "C5'"  sing N N 7   
DA  "C5'"  "C4'"  sing N N 8   
DA  "C5'"  "H5'"  sing N N 9   
DA  "C5'"  "H5''" sing N N 10  
DA  "C4'"  "O4'"  sing N N 11  
DA  "C4'"  "C3'"  sing N N 12  
DA  "C4'"  "H4'"  sing N N 13  
DA  "O4'"  "C1'"  sing N N 14  
DA  "C3'"  "O3'"  sing N N 15  
DA  "C3'"  "C2'"  sing N N 16  
DA  "C3'"  "H3'"  sing N N 17  
DA  "O3'"  "HO3'" sing N N 18  
DA  "C2'"  "C1'"  sing N N 19  
DA  "C2'"  "H2'"  sing N N 20  
DA  "C2'"  "H2''" sing N N 21  
DA  "C1'"  N9     sing N N 22  
DA  "C1'"  "H1'"  sing N N 23  
DA  N9     C8     sing Y N 24  
DA  N9     C4     sing Y N 25  
DA  C8     N7     doub Y N 26  
DA  C8     H8     sing N N 27  
DA  N7     C5     sing Y N 28  
DA  C5     C6     sing Y N 29  
DA  C5     C4     doub Y N 30  
DA  C6     N6     sing N N 31  
DA  C6     N1     doub Y N 32  
DA  N6     H61    sing N N 33  
DA  N6     H62    sing N N 34  
DA  N1     C2     sing Y N 35  
DA  C2     N3     doub Y N 36  
DA  C2     H2     sing N N 37  
DA  N3     C4     sing Y N 38  
DC  OP3    P      sing N N 39  
DC  OP3    HOP3   sing N N 40  
DC  P      OP1    doub N N 41  
DC  P      OP2    sing N N 42  
DC  P      "O5'"  sing N N 43  
DC  OP2    HOP2   sing N N 44  
DC  "O5'"  "C5'"  sing N N 45  
DC  "C5'"  "C4'"  sing N N 46  
DC  "C5'"  "H5'"  sing N N 47  
DC  "C5'"  "H5''" sing N N 48  
DC  "C4'"  "O4'"  sing N N 49  
DC  "C4'"  "C3'"  sing N N 50  
DC  "C4'"  "H4'"  sing N N 51  
DC  "O4'"  "C1'"  sing N N 52  
DC  "C3'"  "O3'"  sing N N 53  
DC  "C3'"  "C2'"  sing N N 54  
DC  "C3'"  "H3'"  sing N N 55  
DC  "O3'"  "HO3'" sing N N 56  
DC  "C2'"  "C1'"  sing N N 57  
DC  "C2'"  "H2'"  sing N N 58  
DC  "C2'"  "H2''" sing N N 59  
DC  "C1'"  N1     sing N N 60  
DC  "C1'"  "H1'"  sing N N 61  
DC  N1     C2     sing N N 62  
DC  N1     C6     sing N N 63  
DC  C2     O2     doub N N 64  
DC  C2     N3     sing N N 65  
DC  N3     C4     doub N N 66  
DC  C4     N4     sing N N 67  
DC  C4     C5     sing N N 68  
DC  N4     H41    sing N N 69  
DC  N4     H42    sing N N 70  
DC  C5     C6     doub N N 71  
DC  C5     H5     sing N N 72  
DC  C6     H6     sing N N 73  
DG  OP3    P      sing N N 74  
DG  OP3    HOP3   sing N N 75  
DG  P      OP1    doub N N 76  
DG  P      OP2    sing N N 77  
DG  P      "O5'"  sing N N 78  
DG  OP2    HOP2   sing N N 79  
DG  "O5'"  "C5'"  sing N N 80  
DG  "C5'"  "C4'"  sing N N 81  
DG  "C5'"  "H5'"  sing N N 82  
DG  "C5'"  "H5''" sing N N 83  
DG  "C4'"  "O4'"  sing N N 84  
DG  "C4'"  "C3'"  sing N N 85  
DG  "C4'"  "H4'"  sing N N 86  
DG  "O4'"  "C1'"  sing N N 87  
DG  "C3'"  "O3'"  sing N N 88  
DG  "C3'"  "C2'"  sing N N 89  
DG  "C3'"  "H3'"  sing N N 90  
DG  "O3'"  "HO3'" sing N N 91  
DG  "C2'"  "C1'"  sing N N 92  
DG  "C2'"  "H2'"  sing N N 93  
DG  "C2'"  "H2''" sing N N 94  
DG  "C1'"  N9     sing N N 95  
DG  "C1'"  "H1'"  sing N N 96  
DG  N9     C8     sing Y N 97  
DG  N9     C4     sing Y N 98  
DG  C8     N7     doub Y N 99  
DG  C8     H8     sing N N 100 
DG  N7     C5     sing Y N 101 
DG  C5     C6     sing N N 102 
DG  C5     C4     doub Y N 103 
DG  C6     O6     doub N N 104 
DG  C6     N1     sing N N 105 
DG  N1     C2     sing N N 106 
DG  N1     H1     sing N N 107 
DG  C2     N2     sing N N 108 
DG  C2     N3     doub N N 109 
DG  N2     H21    sing N N 110 
DG  N2     H22    sing N N 111 
DG  N3     C4     sing N N 112 
HOH O      H1     sing N N 113 
HOH O      H2     sing N N 114 
T5S P      OP3    sing N N 115 
T5S OP3    HOP3   sing N N 116 
T5S OP1    P      doub N N 117 
T5S P      OP2    sing N N 118 
T5S P      "O5'"  sing N N 119 
T5S OP2    HOP2   sing N N 120 
T5S "C5'"  "O5'"  sing N N 121 
T5S "C1'"  N1     sing N N 122 
T5S C6     N1     sing N N 123 
T5S N1     C2     sing N N 124 
T5S C6     C5     doub N N 125 
T5S C6     H6     sing N N 126 
T5S C2     O2     doub N N 127 
T5S C2     N3     sing N N 128 
T5S C4     N3     sing N N 129 
T5S N3     HN3    sing N N 130 
T5S C5     C4     sing N N 131 
T5S C4     O4     doub N N 132 
T5S SE     C5     sing N N 133 
T5S CH3    SE     sing N N 134 
T5S CH3    HH3    sing N N 135 
T5S CH3    HH3A   sing N N 136 
T5S CH3    HH3B   sing N N 137 
T5S "C3'"  "C2'"  sing N N 138 
T5S "C2'"  "C1'"  sing N N 139 
T5S "C2'"  "H2'"  sing N N 140 
T5S "C2'"  "H2'A" sing N N 141 
T5S "C5'"  "C4'"  sing N N 142 
T5S "C5'"  "H5'"  sing N N 143 
T5S "C5'"  "H5'A" sing N N 144 
T5S "C3'"  "C4'"  sing N N 145 
T5S "C4'"  "O4'"  sing N N 146 
T5S "C4'"  "H4'"  sing N N 147 
T5S "O4'"  "C1'"  sing N N 148 
T5S "C1'"  "H1'"  sing N N 149 
T5S "O3'"  "C3'"  sing N N 150 
T5S "C3'"  "H3'"  sing N N 151 
T5S "O3'"  "HO3'" sing N N 152 
UMS OP3    P      sing N N 153 
UMS OP3    HOP3   sing N N 154 
UMS P      OP1    doub N N 155 
UMS P      OP2    sing N N 156 
UMS P      "O5'"  sing N N 157 
UMS OP2    HOP2   sing N N 158 
UMS "O5'"  "C5'"  sing N N 159 
UMS "C5'"  "C4'"  sing N N 160 
UMS "C5'"  "H5'"  sing N N 161 
UMS "C5'"  "H5'2" sing N N 162 
UMS "C4'"  "O4'"  sing N N 163 
UMS "C4'"  "C3'"  sing N N 164 
UMS "C4'"  "H4'"  sing N N 165 
UMS "O4'"  "C1'"  sing N N 166 
UMS "C3'"  "O3'"  sing N N 167 
UMS "C3'"  "C2'"  sing N N 168 
UMS "C3'"  "H3'"  sing N N 169 
UMS "O3'"  "HO3'" sing N N 170 
UMS "C2'"  "SE2'" sing N N 171 
UMS "C2'"  "C1'"  sing N N 172 
UMS "C2'"  "H2'"  sing N N 173 
UMS "SE2'" "CA'"  sing N N 174 
UMS "C1'"  N1     sing N N 175 
UMS "C1'"  "H1'"  sing N N 176 
UMS "CA'"  "HA'"  sing N N 177 
UMS "CA'"  "HA'2" sing N N 178 
UMS "CA'"  "HA'3" sing N N 179 
UMS N1     C2     sing N N 180 
UMS N1     C6     sing N N 181 
UMS C2     O2     doub N N 182 
UMS C2     N3     sing N N 183 
UMS N3     C4     sing N N 184 
UMS N3     H3     sing N N 185 
UMS C4     O4     doub N N 186 
UMS C4     C5     sing N N 187 
UMS C5     C6     doub N N 188 
UMS C5     H5     sing N N 189 
UMS C6     H6     sing N N 190 
# 
_ndb_struct_conf_na.entry_id   3LTU 
_ndb_struct_conf_na.feature    'a-form double helix' 
# 
loop_
_ndb_struct_na_base_pair.model_number 
_ndb_struct_na_base_pair.i_label_asym_id 
_ndb_struct_na_base_pair.i_label_comp_id 
_ndb_struct_na_base_pair.i_label_seq_id 
_ndb_struct_na_base_pair.i_symmetry 
_ndb_struct_na_base_pair.j_label_asym_id 
_ndb_struct_na_base_pair.j_label_comp_id 
_ndb_struct_na_base_pair.j_label_seq_id 
_ndb_struct_na_base_pair.j_symmetry 
_ndb_struct_na_base_pair.shear 
_ndb_struct_na_base_pair.stretch 
_ndb_struct_na_base_pair.stagger 
_ndb_struct_na_base_pair.buckle 
_ndb_struct_na_base_pair.propeller 
_ndb_struct_na_base_pair.opening 
_ndb_struct_na_base_pair.pair_number 
_ndb_struct_na_base_pair.pair_name 
_ndb_struct_na_base_pair.i_auth_asym_id 
_ndb_struct_na_base_pair.i_auth_seq_id 
_ndb_struct_na_base_pair.i_PDB_ins_code 
_ndb_struct_na_base_pair.j_auth_asym_id 
_ndb_struct_na_base_pair.j_auth_seq_id 
_ndb_struct_na_base_pair.j_PDB_ins_code 
_ndb_struct_na_base_pair.hbond_type_28 
_ndb_struct_na_base_pair.hbond_type_12 
1 A DG  1 1_555 A DC  8 8_666 -0.343 -0.120 -0.396 -19.126 -13.473 -1.689 1 A_DG1:DC8_A  A 1 ? A 8 ? 19 1 
1 A UMS 2 1_555 A DA  7 8_666 -0.023 -0.082 0.164  -6.710  -10.915 2.899  2 A_UMS2:DA7_A A 2 ? A 7 ? 20 1 
1 A DG  3 1_555 A DC  6 8_666 -0.280 -0.188 0.260  -4.428  -12.903 0.261  3 A_DG3:DC6_A  A 3 ? A 6 ? 19 1 
1 A T5S 4 1_555 A DA  5 8_666 -0.171 -0.153 0.479  -7.992  -9.242  -4.272 4 A_T5S4:DA5_A A 4 ? A 5 ? 20 1 
1 A DA  5 1_555 A T5S 4 8_666 0.171  -0.153 0.479  7.992   -9.242  -4.272 5 A_DA5:T5S4_A A 5 ? A 4 ? 20 1 
1 A DC  6 1_555 A DG  3 8_666 0.280  -0.188 0.260  4.428   -12.902 0.261  6 A_DC6:DG3_A  A 6 ? A 3 ? 19 1 
1 A DA  7 1_555 A UMS 2 8_666 0.023  -0.082 0.164  6.710   -10.915 2.899  7 A_DA7:UMS2_A A 7 ? A 2 ? 20 1 
1 A DC  8 1_555 A DG  1 8_666 0.343  -0.120 -0.396 19.126  -13.473 -1.689 8 A_DC8:DG1_A  A 8 ? A 1 ? 19 1 
# 
loop_
_ndb_struct_na_base_pair_step.model_number 
_ndb_struct_na_base_pair_step.i_label_asym_id_1 
_ndb_struct_na_base_pair_step.i_label_comp_id_1 
_ndb_struct_na_base_pair_step.i_label_seq_id_1 
_ndb_struct_na_base_pair_step.i_symmetry_1 
_ndb_struct_na_base_pair_step.j_label_asym_id_1 
_ndb_struct_na_base_pair_step.j_label_comp_id_1 
_ndb_struct_na_base_pair_step.j_label_seq_id_1 
_ndb_struct_na_base_pair_step.j_symmetry_1 
_ndb_struct_na_base_pair_step.i_label_asym_id_2 
_ndb_struct_na_base_pair_step.i_label_comp_id_2 
_ndb_struct_na_base_pair_step.i_label_seq_id_2 
_ndb_struct_na_base_pair_step.i_symmetry_2 
_ndb_struct_na_base_pair_step.j_label_asym_id_2 
_ndb_struct_na_base_pair_step.j_label_comp_id_2 
_ndb_struct_na_base_pair_step.j_label_seq_id_2 
_ndb_struct_na_base_pair_step.j_symmetry_2 
_ndb_struct_na_base_pair_step.shift 
_ndb_struct_na_base_pair_step.slide 
_ndb_struct_na_base_pair_step.rise 
_ndb_struct_na_base_pair_step.tilt 
_ndb_struct_na_base_pair_step.roll 
_ndb_struct_na_base_pair_step.twist 
_ndb_struct_na_base_pair_step.x_displacement 
_ndb_struct_na_base_pair_step.y_displacement 
_ndb_struct_na_base_pair_step.helical_rise 
_ndb_struct_na_base_pair_step.inclination 
_ndb_struct_na_base_pair_step.tip 
_ndb_struct_na_base_pair_step.helical_twist 
_ndb_struct_na_base_pair_step.step_number 
_ndb_struct_na_base_pair_step.step_name 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 
1 A DG  1 1_555 A DC  8 8_666 A UMS 2 1_555 A DA  7 8_666 0.512  -0.807 3.092 -3.398 13.604 30.830 -3.348 -1.371 2.460 24.088 
6.016  33.799 1 AA_DG1UMS2:DA7DC8_AA  A 1 ? A 8 ? A 2 ? A 7 ? 
1 A UMS 2 1_555 A DA  7 8_666 A DG  3 1_555 A DC  6 8_666 0.734  -1.521 3.027 0.106  12.227 28.424 -4.836 -1.361 2.204 23.569 
-0.204 30.893 2 AA_UMS2DG3:DC6DA7_AA  A 2 ? A 7 ? A 3 ? A 6 ? 
1 A DG  3 1_555 A DC  6 8_666 A T5S 4 1_555 A DA  5 8_666 -0.343 -1.925 3.350 -0.901 -0.096 35.893 -3.108 0.424  3.362 -0.157 
1.462  35.904 3 AA_DG3T5S4:DA5DC6_AA  A 3 ? A 6 ? A 4 ? A 5 ? 
1 A T5S 4 1_555 A DA  5 8_666 A DA  5 1_555 A T5S 4 8_666 0.000  -1.615 2.781 0.000  1.563  28.610 -3.558 0.000  2.691 3.160  
0.000  28.652 4 AA_T5S4DA5:T5S4DA5_AA A 4 ? A 5 ? A 5 ? A 4 ? 
1 A DA  5 1_555 A T5S 4 8_666 A DC  6 1_555 A DG  3 8_666 0.343  -1.925 3.350 0.901  -0.097 35.893 -3.108 -0.424 3.362 -0.157 
-1.462 35.904 5 AA_DA5DC6:DG3T5S4_AA  A 5 ? A 4 ? A 6 ? A 3 ? 
1 A DC  6 1_555 A DG  3 8_666 A DA  7 1_555 A UMS 2 8_666 -0.734 -1.521 3.027 -0.106 12.227 28.424 -4.836 1.361  2.204 23.569 
0.204  30.893 6 AA_DC6DA7:UMS2DG3_AA  A 6 ? A 3 ? A 7 ? A 2 ? 
1 A DA  7 1_555 A UMS 2 8_666 A DC  8 1_555 A DG  1 8_666 -0.512 -0.807 3.092 3.398  13.604 30.830 -3.348 1.371  2.460 24.088 
-6.017 33.798 7 AA_DA7DC8:DG1UMS2_AA  A 7 ? A 2 ? A 8 ? A 1 ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1DNS 
_pdbx_initial_refinement_model.details          ? 
# 
