data_1DA0
# 
_entry.id   1DA0 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.279 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   1DA0         
RCSB  DDF018       
WWPDB D_1000172695 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        1DA0 
_pdbx_database_status.recvd_initial_deposition_date   1992-10-17 
_pdbx_database_status.deposit_site                    BNL 
_pdbx_database_status.process_site                    NDB 
_pdbx_database_status.SG_entry                        . 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_sf                  ? 
_pdbx_database_status.status_code_cs                  ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Moore, M.H.'              1 
'Hunter, W.N.'             2 
;Langlois D'Estaintot, B.
;
3 
'Kennard, O.'              4 
# 
_citation.id                        primary 
_citation.title                     'DNA-drug interactions. The crystal structure of d(CGATCG) complexed with daunomycin.' 
_citation.journal_abbrev            J.Mol.Biol. 
_citation.journal_volume            206 
_citation.page_first                693 
_citation.page_last                 705 
_citation.year                      1989 
_citation.journal_id_ASTM           JMOBAK 
_citation.country                   UK 
_citation.journal_id_ISSN           0022-2836 
_citation.journal_id_CSD            0070 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   2738914 
_citation.pdbx_database_id_DOI      '10.1016/0022-2836(89)90577-9' 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Moore, M.H.'       1 
primary 'Hunter, W.N.'      2 
primary 
;d'Estaintot, B.L.
;
3 
primary 'Kennard, O.'       4 
# 
_cell.entry_id           1DA0 
_cell.length_a           27.980 
_cell.length_b           27.980 
_cell.length_c           52.870 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         1DA0 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
# 
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 
;DNA (5'-D(*CP*GP*AP*TP*CP*G)-3')
;
1809.217 1 ? ? ? ? 
2 non-polymer syn DAUNOMYCIN                         527.520  1 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           polydeoxyribonucleotide 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       '(DC)(DG)(DA)(DT)(DC)(DG)' 
_entity_poly.pdbx_seq_one_letter_code_can   CGATCG 
_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 DC n 
1 2 DG n 
1 3 DA n 
1 4 DT n 
1 5 DC n 
1 6 DG n 
# 
_struct_ref.id                         1 
_struct_ref.entity_id                  1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    1DA0 
_struct_ref.pdbx_db_accession          1DA0 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.pdbx_seq_one_letter_code   ? 
_struct_ref.pdbx_align_begin           ? 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1DA0 
_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                 6 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             1DA0 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  6 
_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       6 
# 
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 
DM1 non-polymer   . DAUNOMYCIN                           DAUNORUBICIN 'C27 H29 N O10'   527.520 
DT  'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE"         ?            'C10 H15 N2 O8 P' 322.208 
# 
_exptl.entry_id          1DA0 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   ? 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.86 
_exptl_crystal.density_percent_sol   56.99 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION' 
_exptl_crystal_grow.temp            293.00 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              6.50 
_exptl_crystal_grow.pdbx_details    'pH 6.50, VAPOR DIFFUSION, temperature 293.00K' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
loop_
_exptl_crystal_grow_comp.crystal_id 
_exptl_crystal_grow_comp.id 
_exptl_crystal_grow_comp.sol_id 
_exptl_crystal_grow_comp.name 
_exptl_crystal_grow_comp.volume 
_exptl_crystal_grow_comp.conc 
_exptl_crystal_grow_comp.details 
1 1 1 WATER           ? ? ? 
1 2 1 MPD             ? ? ? 
1 3 1 'MG ACETATE'    ? ? ? 
1 4 1 SPERMINE_HCL    ? ? ? 
1 5 1 'NA CACODYLATE' ? ? ? 
1 6 2 WATER           ? ? ? 
1 7 2 MPD             ? ? ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           277.00 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               DIFFRACTOMETER 
_diffrn_detector.type                   'SYNTEX P21' 
_diffrn_detector.pdbx_collection_date   ? 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   . 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      ? 
_diffrn_source.type                        ? 
_diffrn_source.pdbx_synchrotron_site       ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        ? 
# 
_reflns.entry_id                     1DA0 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   2.000 
_reflns.d_resolution_low             ? 
_reflns.d_resolution_high            1.500 
_reflns.number_obs                   2801 
_reflns.number_all                   3529 
_reflns.percent_possible_obs         ? 
_reflns.pdbx_Rmerge_I_obs            0.0900000 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        ? 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              ? 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
# 
_refine.entry_id                                 1DA0 
_refine.ls_number_reflns_obs                     1845 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          5.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             10.000 
_refine.ls_d_res_high                            1.500 
_refine.ls_percent_reflns_obs                    ? 
_refine.ls_R_factor_obs                          0.2500000 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       ? 
_refine.ls_R_factor_R_free                       ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 ? 
_refine.ls_number_reflns_R_free                  ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.B_iso_mean                               ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.solvent_model_details                    ? 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_ls_cross_valid_method               ? 
_refine.details                                  ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_B                             ? 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_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   120 
_refine_hist.pdbx_number_atoms_ligand         38 
_refine_hist.number_atoms_solvent             0 
_refine_hist.number_atoms_total               158 
_refine_hist.d_res_high                       1.500 
_refine_hist.d_res_low                        10.000 
# 
_struct.entry_id                  1DA0 
_struct.title                     'DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURE OF D(CGATCG) COMPLEXED WITH DAUNOMYCIN' 
_struct.pdbx_descriptor           
;5'-D(*CP*GP*AP*TP*CP*G)-3', DAUNOMYCIN
;
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1DA0 
_struct_keywords.pdbx_keywords   DNA 
_struct_keywords.text            'RIGHT HANDED DNA, DOUBLE HELIX, COMPLEXED WITH DRUG, DNA' 
# 
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 ? 
# 
_struct_biol.id   1 
# 
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 
hydrog1  hydrog ? ? A DC 1 N3 ? ? ? 1_555 A DG 6 N1 ? ? A DC 1 A DG 6 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
hydrog2  hydrog ? ? A DC 1 N4 ? ? ? 1_555 A DG 6 O6 ? ? A DC 1 A DG 6 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
hydrog3  hydrog ? ? A DC 1 O2 ? ? ? 1_555 A DG 6 N2 ? ? A DC 1 A DG 6 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
hydrog4  hydrog ? ? A DG 2 N1 ? ? ? 1_555 A DC 5 O2 ? ? A DG 2 A DC 5 8_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ? 
hydrog5  hydrog ? ? A DG 2 N2 ? ? ? 1_555 A DC 5 N3 ? ? A DG 2 A DC 5 8_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ? 
hydrog6  hydrog ? ? A DA 3 N1 ? ? ? 1_555 A DT 4 N3 ? ? A DA 3 A DT 4 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
hydrog7  hydrog ? ? A DA 3 N6 ? ? ? 1_555 A DT 4 O4 ? ? A DA 3 A DT 4 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
hydrog8  hydrog ? ? A DT 4 N3 ? ? ? 1_555 A DA 3 N1 ? ? A DT 4 A DA 3 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
hydrog9  hydrog ? ? A DT 4 O4 ? ? ? 1_555 A DA 3 N6 ? ? A DT 4 A DA 3 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
hydrog10 hydrog ? ? A DC 5 N3 ? ? ? 1_555 A DG 2 N2 ? ? A DC 5 A DG 2 8_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ? 
hydrog11 hydrog ? ? A DC 5 O2 ? ? ? 1_555 A DG 2 N1 ? ? A DC 5 A DG 2 8_555 ? ? ? ? ? ? 'REVERSED WATSON-CRICK' ? ? 
hydrog12 hydrog ? ? A DG 6 N1 ? ? ? 1_555 A DC 1 N3 ? ? A DG 6 A DC 1 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
hydrog13 hydrog ? ? A DG 6 N2 ? ? ? 1_555 A DC 1 O2 ? ? A DG 6 A DC 1 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
hydrog14 hydrog ? ? A DG 6 O6 ? ? ? 1_555 A DC 1 N4 ? ? A DG 6 A DC 1 8_555 ? ? ? ? ? ? WATSON-CRICK            ? ? 
# 
_struct_conn_type.id          hydrog 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_struct_site.id 
_struct_site.pdbx_evidence_code 
_struct_site.pdbx_auth_asym_id 
_struct_site.pdbx_auth_comp_id 
_struct_site.pdbx_auth_seq_id 
_struct_site.pdbx_auth_ins_code 
_struct_site.pdbx_num_residues 
_struct_site.details 
AC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE DM1 A 7' 
1   ?        ? ? ? ? ? ?                                  
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1 AC1 6 DC A 1 ? DC A 1 . ? 8_555 ? 
2 AC1 6 DG A 2 ? DG A 2 . ? 8_555 ? 
3 AC1 6 DA A 3 ? DA A 3 . ? 8_555 ? 
4 AC1 6 DT A 4 ? DT A 4 . ? 1_555 ? 
5 AC1 6 DC A 5 ? DC A 5 . ? 1_555 ? 
6 AC1 6 DG A 6 ? DG A 6 . ? 1_555 ? 
# 
_database_PDB_matrix.entry_id          1DA0 
_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                    1DA0 
_atom_sites.fract_transf_matrix[1][1]   0.035740 
_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]   0.035740 
_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]   0.018914 
_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 
# 
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'" . DC  A 1 1 ? -18.629 20.437 23.173 1.00 14.14 ? 1 DC  A "O5'" 1 
ATOM   2   C "C5'" . DC  A 1 1 ? -17.960 21.455 23.982 1.00 8.69  ? 1 DC  A "C5'" 1 
ATOM   3   C "C4'" . DC  A 1 1 ? -16.550 21.147 24.288 1.00 13.82 ? 1 DC  A "C4'" 1 
ATOM   4   O "O4'" . DC  A 1 1 ? -16.116 20.036 25.050 1.00 20.49 ? 1 DC  A "O4'" 1 
ATOM   5   C "C3'" . DC  A 1 1 ? -15.711 21.005 22.967 1.00 17.46 ? 1 DC  A "C3'" 1 
ATOM   6   O "O3'" . DC  A 1 1 ? -14.653 21.903 23.199 1.00 18.23 ? 1 DC  A "O3'" 1 
ATOM   7   C "C2'" . DC  A 1 1 ? -15.403 19.516 22.919 1.00 21.24 ? 1 DC  A "C2'" 1 
ATOM   8   C "C1'" . DC  A 1 1 ? -15.266 19.085 24.384 1.00 14.09 ? 1 DC  A "C1'" 1 
ATOM   9   N N1    . DC  A 1 1 ? -15.663 17.672 24.537 1.00 12.05 ? 1 DC  A N1    1 
ATOM   10  C C2    . DC  A 1 1 ? -14.712 16.707 24.680 1.00 4.87  ? 1 DC  A C2    1 
ATOM   11  O O2    . DC  A 1 1 ? -13.514 16.987 24.711 1.00 11.19 ? 1 DC  A O2    1 
ATOM   12  N N3    . DC  A 1 1 ? -15.179 15.392 24.748 1.00 4.72  ? 1 DC  A N3    1 
ATOM   13  C C4    . DC  A 1 1 ? -16.472 15.073 24.717 1.00 1.77  ? 1 DC  A C4    1 
ATOM   14  N N4    . DC  A 1 1 ? -16.668 13.777 24.801 1.00 8.34  ? 1 DC  A N4    1 
ATOM   15  C C5    . DC  A 1 1 ? -17.460 16.058 24.627 1.00 8.00  ? 1 DC  A C5    1 
ATOM   16  C C6    . DC  A 1 1 ? -17.012 17.311 24.537 1.00 6.94  ? 1 DC  A C6    1 
ATOM   17  P P     . DG  A 1 2 ? -14.029 22.776 22.116 1.00 20.08 ? 2 DG  A P     1 
ATOM   18  O OP1   . DG  A 1 2 ? -13.053 23.495 23.035 1.00 20.87 ? 2 DG  A OP1   1 
ATOM   19  O OP2   . DG  A 1 2 ? -15.221 23.679 21.629 1.00 25.95 ? 2 DG  A OP2   1 
ATOM   20  O "O5'" . DG  A 1 2 ? -13.299 22.026 20.979 1.00 19.12 ? 2 DG  A "O5'" 1 
ATOM   21  C "C5'" . DG  A 1 2 ? -12.015 21.352 21.243 1.00 12.41 ? 2 DG  A "C5'" 1 
ATOM   22  C "C4'" . DG  A 1 2 ? -11.743 20.467 20.048 1.00 14.68 ? 2 DG  A "C4'" 1 
ATOM   23  O "O4'" . DG  A 1 2 ? -12.569 19.309 20.069 1.00 13.38 ? 2 DG  A "O4'" 1 
ATOM   24  C "C3'" . DG  A 1 2 ? -11.950 21.175 18.695 1.00 9.37  ? 2 DG  A "C3'" 1 
ATOM   25  O "O3'" . DG  A 1 2 ? -10.845 20.999 17.833 1.00 17.12 ? 2 DG  A "O3'" 1 
ATOM   26  C "C2'" . DG  A 1 2 ? -13.260 20.493 18.166 1.00 10.88 ? 2 DG  A "C2'" 1 
ATOM   27  C "C1'" . DG  A 1 2 ? -12.958 19.130 18.711 1.00 13.06 ? 2 DG  A "C1'" 1 
ATOM   28  N N9    . DG  A 1 2 ? -14.203 18.363 18.610 1.00 11.11 ? 2 DG  A N9    1 
ATOM   29  C C8    . DG  A 1 2 ? -15.439 18.811 18.520 1.00 9.82  ? 2 DG  A C8    1 
ATOM   30  N N7    . DG  A 1 2 ? -16.296 17.851 18.351 1.00 11.29 ? 2 DG  A N7    1 
ATOM   31  C C5    . DG  A 1 2 ? -15.540 16.679 18.309 1.00 10.56 ? 2 DG  A C5    1 
ATOM   32  C C6    . DG  A 1 2 ? -15.873 15.294 18.161 1.00 7.53  ? 2 DG  A C6    1 
ATOM   33  O O6    . DG  A 1 2 ? -17.015 14.841 18.066 1.00 7.69  ? 2 DG  A O6    1 
ATOM   34  N N1    . DG  A 1 2 ? -14.835 14.396 18.166 1.00 10.01 ? 2 DG  A N1    1 
ATOM   35  C C2    . DG  A 1 2 ? -13.559 14.832 18.319 1.00 3.01  ? 2 DG  A C2    1 
ATOM   36  N N2    . DG  A 1 2 ? -12.577 13.856 18.272 1.00 4.22  ? 2 DG  A N2    1 
ATOM   37  N N3    . DG  A 1 2 ? -13.162 16.150 18.425 1.00 8.25  ? 2 DG  A N3    1 
ATOM   38  C C4    . DG  A 1 2 ? -14.194 17.006 18.415 1.00 6.34  ? 2 DG  A C4    1 
ATOM   39  P P     . DA  A 1 3 ? -10.042 21.914 16.992 1.00 17.10 ? 3 DA  A P     1 
ATOM   40  O OP1   . DA  A 1 3 ? -9.614  23.358 17.611 1.00 26.98 ? 3 DA  A OP1   1 
ATOM   41  O OP2   . DA  A 1 3 ? -10.730 22.488 15.776 1.00 21.98 ? 3 DA  A OP2   1 
ATOM   42  O "O5'" . DA  A 1 3 ? -8.713  21.069 16.665 1.00 14.71 ? 3 DA  A "O5'" 1 
ATOM   43  C "C5'" . DA  A 1 3 ? -7.700  20.437 17.479 1.00 18.49 ? 3 DA  A "C5'" 1 
ATOM   44  C "C4'" . DA  A 1 3 ? -7.566  19.052 16.850 1.00 13.46 ? 3 DA  A "C4'" 1 
ATOM   45  O "O4'" . DA  A 1 3 ? -8.886  18.514 16.998 1.00 19.10 ? 3 DA  A "O4'" 1 
ATOM   46  C "C3'" . DA  A 1 3 ? -7.317  19.116 15.348 1.00 9.72  ? 3 DA  A "C3'" 1 
ATOM   47  O "O3'" . DA  A 1 3 ? -6.066  18.470 15.094 1.00 18.44 ? 3 DA  A "O3'" 1 
ATOM   48  C "C2'" . DA  A 1 3 ? -8.453  18.335 14.708 1.00 14.74 ? 3 DA  A "C2'" 1 
ATOM   49  C "C1'" . DA  A 1 3 ? -9.071  17.613 15.893 1.00 14.51 ? 3 DA  A "C1'" 1 
ATOM   50  N N9    . DA  A 1 3 ? -10.476 17.339 15.618 1.00 14.85 ? 3 DA  A N9    1 
ATOM   51  C C8    . DA  A 1 3 ? -11.522 18.207 15.528 1.00 11.82 ? 3 DA  A C8    1 
ATOM   52  N N7    . DA  A 1 3 ? -12.655 17.613 15.274 1.00 10.78 ? 3 DA  A N7    1 
ATOM   53  C C5    . DA  A 1 3 ? -12.348 16.256 15.221 1.00 8.04  ? 3 DA  A C5    1 
ATOM   54  C C6    . DA  A 1 3 ? -13.069 15.076 14.994 1.00 9.80  ? 3 DA  A C6    1 
ATOM   55  N N6    . DA  A 1 3 ? -14.365 14.975 14.793 1.00 9.68  ? 3 DA  A N6    1 
ATOM   56  N N1    . DA  A 1 3 ? -12.381 13.872 14.989 1.00 5.76  ? 3 DA  A N1    1 
ATOM   57  C C2    . DA  A 1 3 ? -11.080 13.794 15.237 1.00 10.84 ? 3 DA  A C2    1 
ATOM   58  N N3    . DA  A 1 3 ? -10.350 14.877 15.454 1.00 11.86 ? 3 DA  A N3    1 
ATOM   59  C C4    . DA  A 1 3 ? -10.991 16.055 15.433 1.00 12.98 ? 3 DA  A C4    1 
ATOM   60  P P     . DT  A 1 4 ? -5.397  17.904 13.826 1.00 17.51 ? 4 DT  A P     1 
ATOM   61  O OP1   . DT  A 1 4 ? -3.858  17.854 14.090 1.00 21.02 ? 4 DT  A OP1   1 
ATOM   62  O OP2   . DT  A 1 4 ? -5.674  18.965 12.810 1.00 21.97 ? 4 DT  A OP2   1 
ATOM   63  O "O5'" . DT  A 1 4 ? -6.150  16.687 13.292 1.00 18.91 ? 4 DT  A "O5'" 1 
ATOM   64  C "C5'" . DT  A 1 4 ? -6.217  15.448 14.016 1.00 23.53 ? 4 DT  A "C5'" 1 
ATOM   65  C "C4'" . DT  A 1 4 ? -6.514  14.278 13.122 1.00 17.44 ? 4 DT  A "C4'" 1 
ATOM   66  O "O4'" . DT  A 1 4 ? -7.893  14.029 13.054 1.00 21.32 ? 4 DT  A "O4'" 1 
ATOM   67  C "C3'" . DT  A 1 4 ? -6.060  14.340 11.663 1.00 17.72 ? 4 DT  A "C3'" 1 
ATOM   68  O "O3'" . DT  A 1 4 ? -5.624  13.011 11.282 1.00 19.94 ? 4 DT  A "O3'" 1 
ATOM   69  C "C2'" . DT  A 1 4 ? -7.345  14.695 10.934 1.00 13.67 ? 4 DT  A "C2'" 1 
ATOM   70  C "C1'" . DT  A 1 4 ? -8.358  13.777 11.695 1.00 16.63 ? 4 DT  A "C1'" 1 
ATOM   71  N N1    . DT  A 1 4 ? -9.695  14.387 11.631 1.00 15.46 ? 4 DT  A N1    1 
ATOM   72  C C2    . DT  A 1 4 ? -10.856 13.657 11.631 1.00 10.43 ? 4 DT  A C2    1 
ATOM   73  O O2    . DT  A 1 4 ? -11.083 12.482 11.579 1.00 21.45 ? 4 DT  A O2    1 
ATOM   74  N N3    . DT  A 1 4 ? -12.003 14.343 11.663 1.00 14.05 ? 4 DT  A N3    1 
ATOM   75  C C4    . DT  A 1 4 ? -12.015 15.697 11.727 1.00 12.17 ? 4 DT  A C4    1 
ATOM   76  O O4    . DT  A 1 4 ? -13.181 16.200 11.753 1.00 13.54 ? 4 DT  A O4    1 
ATOM   77  C C5    . DT  A 1 4 ? -10.828 16.466 11.774 1.00 13.56 ? 4 DT  A C5    1 
ATOM   78  C C7    . DT  A 1 4 ? -10.865 17.960 11.838 1.00 11.81 ? 4 DT  A C7    1 
ATOM   79  C C6    . DT  A 1 4 ? -9.712  15.786 11.748 1.00 10.76 ? 4 DT  A C6    1 
ATOM   80  P P     . DC  A 1 5 ? -4.592  12.854 10.040 1.00 19.54 ? 5 DC  A P     1 
ATOM   81  O OP1   . DC  A 1 5 ? -4.110  11.491 10.257 1.00 16.66 ? 5 DC  A OP1   1 
ATOM   82  O OP2   . DC  A 1 5 ? -4.091  14.267 10.024 1.00 22.88 ? 5 DC  A OP2   1 
ATOM   83  O "O5'" . DC  A 1 5 ? -5.492  12.725 8.713  1.00 22.73 ? 5 DC  A "O5'" 1 
ATOM   84  C "C5'" . DC  A 1 5 ? -5.582  11.385 8.184  1.00 21.14 ? 5 DC  A "C5'" 1 
ATOM   85  C "C4'" . DC  A 1 5 ? -7.006  11.354 7.724  1.00 15.19 ? 5 DC  A "C4'" 1 
ATOM   86  O "O4'" . DC  A 1 5 ? -7.904  12.082 8.512  1.00 19.73 ? 5 DC  A "O4'" 1 
ATOM   87  C "C3'" . DC  A 1 5 ? -7.289  11.819 6.313  1.00 13.56 ? 5 DC  A "C3'" 1 
ATOM   88  O "O3'" . DC  A 1 5 ? -7.941  10.644 5.689  1.00 18.23 ? 5 DC  A "O3'" 1 
ATOM   89  C "C2'" . DC  A 1 5 ? -8.304  12.921 6.413  1.00 15.85 ? 5 DC  A "C2'" 1 
ATOM   90  C "C1'" . DC  A 1 5 ? -9.001  12.689 7.761  1.00 14.82 ? 5 DC  A "C1'" 1 
ATOM   91  N N1    . DC  A 1 5 ? -9.827  13.895 8.036  1.00 10.26 ? 5 DC  A N1    1 
ATOM   92  C C2    . DC  A 1 5 ? -11.234 13.822 8.116  1.00 5.49  ? 5 DC  A C2    1 
ATOM   93  O O2    . DC  A 1 5 ? -11.905 12.767 8.105  1.00 14.31 ? 5 DC  A O2    1 
ATOM   94  N N3    . DC  A 1 5 ? -11.942 14.969 8.306  1.00 10.40 ? 5 DC  A N3    1 
ATOM   95  C C4    . DC  A 1 5 ? -11.343 16.147 8.343  1.00 5.32  ? 5 DC  A C4    1 
ATOM   96  N N4    . DC  A 1 5 ? -11.942 17.348 8.496  1.00 10.77 ? 5 DC  A N4    1 
ATOM   97  C C5    . DC  A 1 5 ? -9.930  16.228 8.221  1.00 11.30 ? 5 DC  A C5    1 
ATOM   98  C C6    . DC  A 1 5 ? -9.247  15.104 8.005  1.00 9.80  ? 5 DC  A C6    1 
ATOM   99  P P     . DG  A 1 6 ? -6.975  9.994  4.589  1.00 14.85 ? 6 DG  A P     1 
ATOM   100 O OP1   . DG  A 1 6 ? -6.074  9.253  5.440  1.00 20.41 ? 6 DG  A OP1   1 
ATOM   101 O OP2   . DG  A 1 6 ? -6.701  10.795 3.484  1.00 19.56 ? 6 DG  A OP2   1 
ATOM   102 O "O5'" . DG  A 1 6 ? -8.013  9.057  3.981  1.00 12.03 ? 6 DG  A "O5'" 1 
ATOM   103 C "C5'" . DG  A 1 6 ? -9.270  8.926  4.711  1.00 18.00 ? 6 DG  A "C5'" 1 
ATOM   104 C "C4'" . DG  A 1 6 ? -9.997  8.187  3.606  1.00 12.50 ? 6 DG  A "C4'" 1 
ATOM   105 O "O4'" . DG  A 1 6 ? -10.954 8.998  2.987  1.00 16.23 ? 6 DG  A "O4'" 1 
ATOM   106 C "C3'" . DG  A 1 6 ? -9.105  7.653  2.464  1.00 16.51 ? 6 DG  A "C3'" 1 
ATOM   107 O "O3'" . DG  A 1 6 ? -9.720  6.475  1.893  1.00 18.28 ? 6 DG  A "O3'" 1 
ATOM   108 C "C2'" . DG  A 1 6 ? -9.194  8.710  1.385  1.00 13.54 ? 6 DG  A "C2'" 1 
ATOM   109 C "C1'" . DG  A 1 6 ? -10.593 9.228  1.623  1.00 6.98  ? 6 DG  A "C1'" 1 
ATOM   110 N N9    . DG  A 1 6 ? -10.616 10.691 1.539  1.00 7.48  ? 6 DG  A N9    1 
ATOM   111 C C8    . DG  A 1 6 ? -9.533  11.575 1.570  1.00 6.52  ? 6 DG  A C8    1 
ATOM   112 N N7    . DG  A 1 6 ? -9.874  12.823 1.570  1.00 4.24  ? 6 DG  A N7    1 
ATOM   113 C C5    . DG  A 1 6 ? -11.262 12.818 1.554  1.00 6.57  ? 6 DG  A C5    1 
ATOM   114 C C6    . DG  A 1 6 ? -12.236 13.819 1.523  1.00 4.06  ? 6 DG  A C6    1 
ATOM   115 O O6    . DG  A 1 6 ? -12.037 15.050 1.512  1.00 9.11  ? 6 DG  A O6    1 
ATOM   116 N N1    . DG  A 1 6 ? -13.576 13.349 1.523  1.00 11.50 ? 6 DG  A N1    1 
ATOM   117 C C2    . DG  A 1 6 ? -13.853 12.043 1.517  1.00 3.53  ? 6 DG  A C2    1 
ATOM   118 N N2    . DG  A 1 6 ? -15.090 11.463 1.507  1.00 6.86  ? 6 DG  A N2    1 
ATOM   119 N N3    . DG  A 1 6 ? -12.960 11.021 1.565  1.00 7.72  ? 6 DG  A N3    1 
ATOM   120 C C4    . DG  A 1 6 ? -11.693 11.494 1.565  1.00 6.27  ? 6 DG  A C4    1 
HETATM 121 C C1    . DM1 B 2 . ? -12.667 18.363 4.959  1.00 12.73 ? 7 DM1 A C1    1 
HETATM 122 C C2    . DM1 B 2 . ? -11.469 19.122 4.927  1.00 12.67 ? 7 DM1 A C2    1 
HETATM 123 C C3    . DM1 B 2 . ? -10.179 18.481 4.848  1.00 12.75 ? 7 DM1 A C3    1 
HETATM 124 C C4    . DM1 B 2 . ? -10.196 17.096 4.790  1.00 13.11 ? 7 DM1 A C4    1 
HETATM 125 O O4    . DM1 B 2 . ? -9.040  16.449 4.758  1.00 15.64 ? 7 DM1 A O4    1 
HETATM 126 C C5    . DM1 B 2 . ? -11.421 16.360 4.832  1.00 12.38 ? 7 DM1 A C5    1 
HETATM 127 C C6    . DM1 B 2 . ? -11.421 14.950 4.790  1.00 12.54 ? 7 DM1 A C6    1 
HETATM 128 O O6    . DM1 B 2 . ? -10.232 14.264 4.700  1.00 15.10 ? 7 DM1 A O6    1 
HETATM 129 C C7    . DM1 B 2 . ? -12.611 14.214 4.816  1.00 10.91 ? 7 DM1 A C7    1 
HETATM 130 C C8    . DM1 B 2 . ? -12.639 12.801 4.779  1.00 10.43 ? 7 DM1 A C8    1 
HETATM 131 O O8    . DM1 B 2 . ? -11.410 12.101 4.705  1.00 18.94 ? 7 DM1 A O8    1 
HETATM 132 C C9    . DM1 B 2 . ? -13.850 12.079 4.859  1.00 14.70 ? 7 DM1 A C9    1 
HETATM 133 C C10   . DM1 B 2 . ? -13.761 10.590 4.790  1.00 18.19 ? 7 DM1 A C10   1 
HETATM 134 O O10   . DM1 B 2 . ? -13.030 10.112 5.911  1.00 18.87 ? 7 DM1 A O10   1 
HETATM 135 C C11   . DM1 B 2 . ? -15.126 9.855  4.742  1.00 16.52 ? 7 DM1 A C11   1 
HETATM 136 C C12   . DM1 B 2 . ? -16.270 10.669 5.483  1.00 17.42 ? 7 DM1 A C12   1 
HETATM 137 O O12   . DM1 B 2 . ? -15.996 10.490 6.873  1.00 15.66 ? 7 DM1 A O12   1 
HETATM 138 C C13   . DM1 B 2 . ? -17.605 9.958  5.266  1.00 18.95 ? 7 DM1 A C13   1 
HETATM 139 O O13   . DM1 B 2 . ? -18.030 10.104 4.013  1.00 18.71 ? 7 DM1 A O13   1 
HETATM 140 C C14   . DM1 B 2 . ? -18.075 8.623  5.826  1.00 19.75 ? 7 DM1 A C14   1 
HETATM 141 C C15   . DM1 B 2 . ? -16.352 12.118 4.949  1.00 16.32 ? 7 DM1 A C15   1 
HETATM 142 C C16   . DM1 B 2 . ? -14.997 12.759 4.970  1.00 16.41 ? 7 DM1 A C16   1 
HETATM 143 C C17   . DM1 B 2 . ? -15.036 14.177 4.964  1.00 12.31 ? 7 DM1 A C17   1 
HETATM 144 O O17   . DM1 B 2 . ? -16.228 14.785 5.049  1.00 14.72 ? 7 DM1 A O17   1 
HETATM 145 C C18   . DM1 B 2 . ? -13.850 14.888 4.912  1.00 13.47 ? 7 DM1 A C18   1 
HETATM 146 C C19   . DM1 B 2 . ? -13.853 16.343 4.970  1.00 12.25 ? 7 DM1 A C19   1 
HETATM 147 O O19   . DM1 B 2 . ? -14.961 16.875 5.033  1.00 16.51 ? 7 DM1 A O19   1 
HETATM 148 C C20   . DM1 B 2 . ? -12.613 16.981 4.927  1.00 12.07 ? 7 DM1 A C20   1 
HETATM 149 C C21   . DM1 B 2 . ? -7.703  17.037 4.716  1.00 16.58 ? 7 DM1 A C21   1 
HETATM 150 C "C1'" . DM1 B 2 . ? -12.090 9.253  6.307  1.00 18.06 ? 7 DM1 A "C1'" 1 
HETATM 151 C "C2'" . DM1 B 2 . ? -11.240 9.720  7.508  1.00 21.89 ? 7 DM1 A "C2'" 1 
HETATM 152 C "C3'" . DM1 B 2 . ? -12.286 9.846  8.697  1.00 23.51 ? 7 DM1 A "C3'" 1 
HETATM 153 N "N3'" . DM1 B 2 . ? -11.696 10.344 9.903  1.00 21.68 ? 7 DM1 A "N3'" 1 
HETATM 154 C "C4'" . DM1 B 2 . ? -13.055 8.450  8.956  1.00 26.18 ? 7 DM1 A "C4'" 1 
HETATM 155 O "O4'" . DM1 B 2 . ? -12.015 7.465  9.347  1.00 23.29 ? 7 DM1 A "O4'" 1 
HETATM 156 C "C5'" . DM1 B 2 . ? -12.812 7.585  7.566  1.00 25.34 ? 7 DM1 A "C5'" 1 
HETATM 157 O "O5'" . DM1 B 2 . ? -12.846 8.039  6.403  1.00 23.07 ? 7 DM1 A "O5'" 1 
HETATM 158 C "C6'" . DM1 B 2 . ? -14.267 6.866  7.856  1.00 18.53 ? 7 DM1 A "C6'" 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 DC 1 1 1 DC C A . n 
A 1 2 DG 2 2 2 DG G A . n 
A 1 3 DA 3 3 3 DA A A . n 
A 1 4 DT 4 4 4 DT T A . n 
A 1 5 DC 5 5 5 DC C A . n 
A 1 6 DG 6 6 6 DG G A . n 
# 
_pdbx_nonpoly_scheme.asym_id         B 
_pdbx_nonpoly_scheme.entity_id       2 
_pdbx_nonpoly_scheme.mon_id          DM1 
_pdbx_nonpoly_scheme.ndb_seq_num     1 
_pdbx_nonpoly_scheme.pdb_seq_num     7 
_pdbx_nonpoly_scheme.auth_seq_num    7 
_pdbx_nonpoly_scheme.pdb_mon_id      DM1 
_pdbx_nonpoly_scheme.auth_mon_id     DM1 
_pdbx_nonpoly_scheme.pdb_strand_id   A 
_pdbx_nonpoly_scheme.pdb_ins_code    . 
# 
_struct_site_keywords.site_id   1 
_struct_site_keywords.text      INTERCALATION 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_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_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_555 -y,-x,-z+1/2 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 26.4350000000 
# 
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 1993-07-15 
2 'Structure model' 1 1 2008-05-22 
3 'Structure model' 1 2 2011-07-13 
# 
_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         ? 
# 
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' 'Version format compliance' 
2 3 'Structure model' 'Version format compliance' 
# 
_refine_B_iso.class            'ALL ATOMS' 
_refine_B_iso.details          TR 
_refine_B_iso.treatment        isotropic 
_refine_B_iso.pdbx_refine_id   'X-RAY DIFFRACTION' 
# 
_refine_occupancy.class            'ALL ATOMS' 
_refine_occupancy.treatment        fix 
_refine_occupancy.pdbx_refine_id   'X-RAY DIFFRACTION' 
# 
_software.name             NUCLSQ 
_software.classification   refinement 
_software.version          . 
_software.citation_id      ? 
_software.pdbx_ordinal     1 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    N2 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    DG 
_pdbx_validate_symm_contact.auth_seq_id_1     2 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O2 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    DC 
_pdbx_validate_symm_contact.auth_seq_id_2     5 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   8_555 
_pdbx_validate_symm_contact.dist              1.96 
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1 1 "O3'" A DC 1 ? ? P     A DG 2 ? ? 1.525 1.607 -0.082 0.012 Y 
2 1 C2    A DG 2 ? ? N3    A DG 2 ? ? 1.381 1.323 0.058  0.008 N 
3 1 C8    A DG 2 ? ? N9    A DG 2 ? ? 1.318 1.374 -0.056 0.007 N 
4 1 "O3'" A DG 2 ? ? P     A DA 3 ? ? 1.480 1.607 -0.127 0.012 Y 
5 1 P     A DA 3 ? ? OP1   A DA 3 ? ? 1.628 1.485 0.143  0.017 N 
6 1 P     A DT 4 ? ? "O5'" A DT 4 ? ? 1.527 1.593 -0.066 0.010 N 
7 1 P     A DG 6 ? ? "O5'" A DG 6 ? ? 1.525 1.593 -0.068 0.010 N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1  1 "C5'" A DC 1 ? ? "C4'" A DC 1 ? ? "O4'" A DC 1 ? ? 124.65 109.80 14.85  1.10 N 
2  1 "C1'" A DC 1 ? ? "O4'" A DC 1 ? ? "C4'" A DC 1 ? ? 116.79 110.30 6.49   0.70 N 
3  1 "O4'" A DC 1 ? ? "C1'" A DC 1 ? ? N1    A DC 1 ? ? 115.21 108.30 6.91   0.30 N 
4  1 C2    A DC 1 ? ? N3    A DC 1 ? ? C4    A DC 1 ? ? 123.28 119.90 3.38   0.50 N 
5  1 C5    A DC 1 ? ? C6    A DC 1 ? ? N1    A DC 1 ? ? 124.57 121.00 3.57   0.50 N 
6  1 N3    A DC 1 ? ? C4    A DC 1 ? ? N4    A DC 1 ? ? 112.31 118.00 -5.69  0.70 N 
7  1 C5    A DC 1 ? ? C4    A DC 1 ? ? N4    A DC 1 ? ? 126.43 120.20 6.23   0.70 N 
8  1 "O3'" A DC 1 ? ? P     A DG 2 ? ? "O5'" A DG 2 ? ? 115.98 104.00 11.98  1.90 Y 
9  1 "C3'" A DG 2 ? ? "C2'" A DG 2 ? ? "C1'" A DG 2 ? ? 96.00  102.40 -6.40  0.80 N 
10 1 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9    A DG 2 ? ? 111.32 108.30 3.02   0.30 N 
11 1 C6    A DG 2 ? ? N1    A DG 2 ? ? C2    A DG 2 ? ? 120.09 125.10 -5.01  0.60 N 
12 1 C5    A DG 2 ? ? C6    A DG 2 ? ? N1    A DG 2 ? ? 117.16 111.50 5.66   0.50 N 
13 1 C8    A DG 2 ? ? N9    A DG 2 ? ? C4    A DG 2 ? ? 109.45 106.40 3.05   0.40 N 
14 1 "C3'" A DG 2 ? ? "O3'" A DG 2 ? ? P     A DA 3 ? ? 133.98 119.70 14.28  1.20 Y 
15 1 "O3'" A DG 2 ? ? P     A DA 3 ? ? OP1   A DA 3 ? ? 118.36 110.50 7.86   1.10 Y 
16 1 OP1   A DA 3 ? ? P     A DA 3 ? ? OP2   A DA 3 ? ? 95.09  119.60 -24.51 1.50 N 
17 1 "O5'" A DA 3 ? ? "C5'" A DA 3 ? ? "C4'" A DA 3 ? ? 103.07 109.40 -6.33  0.80 N 
18 1 P     A DA 3 ? ? "O5'" A DA 3 ? ? "C5'" A DA 3 ? ? 133.98 120.90 13.08  1.60 N 
19 1 "O4'" A DA 3 ? ? "C1'" A DA 3 ? ? N9    A DA 3 ? ? 112.76 108.30 4.46   0.30 N 
20 1 C6    A DA 3 ? ? N1    A DA 3 ? ? C2    A DA 3 ? ? 122.47 118.60 3.87   0.60 N 
21 1 N1    A DA 3 ? ? C2    A DA 3 ? ? N3    A DA 3 ? ? 121.55 129.30 -7.75  0.50 N 
22 1 C2    A DA 3 ? ? N3    A DA 3 ? ? C4    A DA 3 ? ? 116.89 110.60 6.29   0.50 N 
23 1 C4    A DA 3 ? ? C5    A DA 3 ? ? C6    A DA 3 ? ? 113.94 117.00 -3.06  0.50 N 
24 1 N1    A DA 3 ? ? C6    A DA 3 ? ? N6    A DA 3 ? ? 114.94 118.60 -3.66  0.60 N 
25 1 "C3'" A DA 3 ? ? "O3'" A DA 3 ? ? P     A DT 4 ? ? 133.74 119.70 14.04  1.20 Y 
26 1 OP1   A DT 4 ? ? P     A DT 4 ? ? OP2   A DT 4 ? ? 108.67 119.60 -10.93 1.50 N 
27 1 "O5'" A DT 4 ? ? P     A DT 4 ? ? OP1   A DT 4 ? ? 121.28 110.70 10.58  1.20 N 
28 1 "O4'" A DT 4 ? ? "C1'" A DT 4 ? ? "C2'" A DT 4 ? ? 98.36  105.90 -7.54  0.80 N 
29 1 C2    A DT 4 ? ? N3    A DT 4 ? ? C4    A DT 4 ? ? 121.42 127.20 -5.78  0.60 N 
30 1 N3    A DT 4 ? ? C4    A DT 4 ? ? C5    A DT 4 ? ? 122.48 115.20 7.28   0.60 N 
31 1 N1    A DT 4 ? ? C2    A DT 4 ? ? O2    A DT 4 ? ? 133.04 123.10 9.94   0.80 N 
32 1 N3    A DT 4 ? ? C2    A DT 4 ? ? O2    A DT 4 ? ? 109.99 122.30 -12.31 0.60 N 
33 1 N3    A DT 4 ? ? C4    A DT 4 ? ? O4    A DT 4 ? ? 113.87 119.90 -6.03  0.60 N 
34 1 OP1   A DC 5 ? ? P     A DC 5 ? ? OP2   A DC 5 ? ? 140.36 119.60 20.76  1.50 N 
35 1 "O5'" A DC 5 ? ? "C5'" A DC 5 ? ? "C4'" A DC 5 ? ? 101.02 109.40 -8.38  0.80 N 
36 1 "O4'" A DC 5 ? ? "C1'" A DC 5 ? ? "C2'" A DC 5 ? ? 99.97  105.90 -5.93  0.80 N 
37 1 "O4'" A DC 5 ? ? "C1'" A DC 5 ? ? N1    A DC 5 ? ? 131.19 108.30 22.89  0.30 N 
38 1 N1    A DC 5 ? ? C2    A DC 5 ? ? O2    A DC 5 ? ? 125.33 118.90 6.43   0.60 N 
39 1 N3    A DC 5 ? ? C2    A DC 5 ? ? O2    A DC 5 ? ? 115.66 121.90 -6.24  0.70 N 
40 1 N3    A DC 5 ? ? C4    A DC 5 ? ? N4    A DC 5 ? ? 126.48 118.00 8.48   0.70 N 
41 1 C5    A DC 5 ? ? C4    A DC 5 ? ? N4    A DC 5 ? ? 113.59 120.20 -6.61  0.70 N 
42 1 "C3'" A DC 5 ? ? "O3'" A DC 5 ? ? P     A DG 6 ? ? 110.22 119.70 -9.48  1.20 Y 
43 1 OP1   A DG 6 ? ? P     A DG 6 ? ? OP2   A DG 6 ? ? 129.81 119.60 10.21  1.50 N 
44 1 "O5'" A DG 6 ? ? P     A DG 6 ? ? OP2   A DG 6 ? ? 99.85  105.70 -5.85  0.90 N 
45 1 "O5'" A DG 6 ? ? "C5'" A DG 6 ? ? "C4'" A DG 6 ? ? 95.29  109.40 -14.11 0.80 N 
46 1 "O4'" A DG 6 ? ? "C1'" A DG 6 ? ? N9    A DG 6 ? ? 102.20 108.00 -5.80  0.70 N 
47 1 C6    A DG 6 ? ? N1    A DG 6 ? ? C2    A DG 6 ? ? 121.30 125.10 -3.80  0.60 N 
48 1 C5    A DG 6 ? ? C6    A DG 6 ? ? N1    A DG 6 ? ? 114.88 111.50 3.38   0.50 N 
49 1 C4    A DG 6 ? ? C5    A DG 6 ? ? N7    A DG 6 ? ? 108.23 110.80 -2.57  0.40 N 
50 1 N9    A DG 6 ? ? C4    A DG 6 ? ? C5    A DG 6 ? ? 108.66 105.40 3.26   0.40 N 
51 1 C6    A DG 6 ? ? C5    A DG 6 ? ? N7    A DG 6 ? ? 134.01 130.40 3.61   0.60 N 
52 1 N1    A DG 6 ? ? C2    A DG 6 ? ? N2    A DG 6 ? ? 127.10 116.20 10.90  0.90 N 
53 1 N3    A DG 6 ? ? C2    A DG 6 ? ? N2    A DG 6 ? ? 106.03 119.90 -13.87 0.70 N 
# 
_pdbx_validate_chiral.id              1 
_pdbx_validate_chiral.PDB_model_num   1 
_pdbx_validate_chiral.auth_atom_id    "C5'" 
_pdbx_validate_chiral.label_alt_id    ? 
_pdbx_validate_chiral.auth_asym_id    A 
_pdbx_validate_chiral.auth_comp_id    DM1 
_pdbx_validate_chiral.auth_seq_id     7 
_pdbx_validate_chiral.PDB_ins_code    ? 
_pdbx_validate_chiral.details         'WRONG HAND' 
_pdbx_validate_chiral.omega           . 
# 
_ndb_struct_conf_na.entry_id   1DA0 
_ndb_struct_conf_na.feature    'b-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 DC 1 1_555 A DG 6 8_555 0.080  -0.467 -0.022 5.455   0.849  -2.537 1 A_DC1:DG6_A A 1 ? A 6 ? 19 1 
1 A DG 2 1_555 A DC 5 8_555 0.014  -0.398 -0.201 -11.065 -0.030 6.550  2 A_DG2:DC5_A A 2 ? A 5 ? 22 1 
1 A DA 3 1_555 A DT 4 8_555 -0.601 -0.443 -0.015 -7.237  -4.173 -3.874 3 A_DA3:DT4_A A 3 ? A 4 ? 20 1 
1 A DT 4 1_555 A DA 3 8_555 0.601  -0.443 -0.015 7.237   -4.173 -3.874 4 A_DT4:DA3_A A 4 ? A 3 ? 20 1 
1 A DC 5 1_555 A DG 2 8_555 -0.014 -0.398 -0.201 11.065  -0.030 6.550  5 A_DC5:DG2_A A 5 ? A 2 ? 22 1 
1 A DG 6 1_555 A DC 1 8_555 -0.080 -0.467 -0.022 -5.455  0.849  -2.537 6 A_DG6:DC1_A A 6 ? 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 DC 1 1_555 A DG 6 8_555 A DG 2 1_555 A DC 5 8_555 1.370  1.205  6.901 -0.454 -4.150 33.139 3.530  -2.540 6.687 -7.241 0.791  
33.393 1 AA_DC1DG2:DC5DG6_AA A 1 ? A 6 ? A 2 ? A 5 ? 
1 A DG 2 1_555 A DC 5 8_555 A DA 3 1_555 A DT 4 8_555 -1.788 0.199  3.316 -2.853 -1.371 25.033 0.874  3.225  3.479 -3.146 6.549  
25.229 2 AA_DG2DA3:DT4DC5_AA A 2 ? A 5 ? A 3 ? A 4 ? 
1 A DA 3 1_555 A DT 4 8_555 A DT 4 1_555 A DA 3 8_555 0.000  -1.107 3.108 0.000  6.026  43.567 -2.008 0.000  2.937 8.073  0.000  
43.962 3 AA_DA3DT4:DA3DT4_AA A 3 ? A 4 ? A 4 ? A 3 ? 
1 A DT 4 1_555 A DA 3 8_555 A DC 5 1_555 A DG 2 8_555 1.788  0.199  3.316 2.853  -1.371 25.033 0.874  -3.225 3.479 -3.146 -6.549 
25.229 4 AA_DT4DC5:DG2DA3_AA A 4 ? A 3 ? A 5 ? A 2 ? 
1 A DC 5 1_555 A DG 2 8_555 A DG 6 1_555 A DC 1 8_555 -1.370 1.205  6.901 0.454  -4.150 33.139 3.530  2.540  6.687 -7.241 -0.791 
33.393 5 AA_DC5DG6:DC1DG2_AA A 5 ? A 2 ? A 6 ? A 1 ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        DAUNOMYCIN 
_pdbx_entity_nonpoly.comp_id     DM1 
# 
