data_1VTI
# 
_entry.id   1VTI 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.011 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
_database.entry_id   1VTI 
_database.code_CSD   HEXXAH 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB  1VTI       
NDB  DDF032     
RCSB RCSB003042 
# 
_database_PDB_rev.num             1 
_database_PDB_rev.date            2011-07-13 
_database_PDB_rev.date_original   1992-03-01 
_database_PDB_rev.status          ? 
_database_PDB_rev.replaces        1VTI 
_database_PDB_rev.mod_type        0 
# 
_pdbx_database_status.status_code      REL 
_pdbx_database_status.entry_id         1VTI 
_pdbx_database_status.deposit_site     RCSB 
_pdbx_database_status.process_site     RCSB 
_pdbx_database_status.SG_entry         ? 
_pdbx_database_status.status_code_sf   ? 
_pdbx_database_status.status_code_mr   ? 
_pdbx_database_status.status_code_cs   ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Nunn, C.M.'       1 
'Van Meervelt, L.' 2 
'Zhang, S.'        3 
'Moore, M.H.'      4 
'Kennard, O.'      5 
# 
loop_
_citation.id 
_citation.title 
_citation.journal_abbrev 
_citation.journal_volume 
_citation.page_first 
_citation.page_last 
_citation.year 
_citation.journal_id_ASTM 
_citation.country 
_citation.journal_id_ISSN 
_citation.journal_id_CSD 
_citation.book_publisher 
_citation.pdbx_database_id_PubMed 
_citation.pdbx_database_id_DOI 
primary 'DNA-Drug Interactions: The Crystal Structures of d(TGTACA) and d(TGATCA) Complexed with Daunomycin' J.Mol.Biol. 222 167 
177 1991 JMOBAK UK 0022-2836 0070 ? ? ? 
1       'DNA-Drug Interactions: The Crystal Structure of d(CGATCG) Complexed with Daunomycin'                J.Mol.Biol. 206 693 
705 1989 JMOBAK UK 0022-2836 0070 ? ? ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Nunn, C.M.'        1 
primary 'Van Meervelt, L.'  2 
primary 'Zhang, S.'         3 
primary 'Moore, M.H.'       4 
primary 'Kennard, O.'       5 
1       'Moore, M.H.'       6 
1       'Hunter, W.N.'      7 
1       
;D'Estaintot, B.L.
;
8 
1       'Kennard, O.'       9 
# 
_cell.entry_id           1VTI 
_cell.length_a           28.110 
_cell.length_b           28.110 
_cell.length_c           52.880 
_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                         1VTI 
_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                ? 
_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.details 
1 polymer     syn 
;DNA (5'-D(*TP*GP*TP*AP*CP*A)-3')
;
1808.244 1  ? 
2 non-polymer syn DAUNOMYCIN                         527.527  1  ? 
3 water       nat water                              18.015   52 ? 
# 
_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       '(DT)(DG)(DA)(DT)(DC)(DA)' 
_entity_poly.pdbx_seq_one_letter_code_can   TGATCA 
_entity_poly.pdbx_strand_id                 A 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1 DT n 
1 2 DG n 
1 3 DA n 
1 4 DT n 
1 5 DC n 
1 6 DA n 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    1VTI 
_struct_ref.pdbx_db_accession          1VTI 
_struct_ref.entity_id                  1 
_struct_ref.biol_id                    . 
_struct_ref.pdbx_align_begin           ? 
_struct_ref.pdbx_seq_one_letter_code   ? 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1VTI 
_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             1VTI 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.db_align_end                  6 
_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 
DT  'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE"         ?            'C10 H15 N2 O8 P' 322.211 
DG  'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ?            'C10 H14 N5 O7 P' 347.224 
DA  'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ?            'C10 H14 N5 O6 P' 331.224 
DC  'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"  ?            'C9 H14 N3 O7 P'  307.199 
DM1 NON-POLYMER   . DAUNOMYCIN                           DAUNORUBICIN 'C27 H29 N O10'   527.527 
HOH NON-POLYMER   . WATER                                ?            'H2 O'            18.015  
# 
_exptl.entry_id          1VTI 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   ? 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_percent_sol   57.42 
_exptl_crystal.density_Matthews      2.89 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_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  3  
1 2 1 MPD             4  5  6  
1 3 1 'MG ACETATE'    7  8  9  
1 4 1 SPERMINE_HCL    10 11 12 
1 5 1 'NA CACODYLATE' 13 14 15 
1 6 2 WATER           16 17 18 
1 7 2 MPD             19 20 21 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           275.00 
_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   M 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_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                     1VTI 
_reflns.observed_criterion_sigma_I   0.000 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             ? 
_reflns.d_resolution_high            1.700 
_reflns.number_obs                   2626 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         ? 
_reflns.pdbx_Rmerge_I_obs            ? 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        ? 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              ? 
_reflns.R_free_details               ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
# 
_computing.entry_id                           1VTI 
_computing.pdbx_data_reduction_ii             ? 
_computing.pdbx_data_reduction_ds             ? 
_computing.data_collection                    ? 
_computing.structure_solution                 ? 
_computing.structure_refinement               NUCLSQ 
_computing.pdbx_structure_refinement_method   KONNERT-HENDRICKSON 
# 
_refine.entry_id                               1VTI 
_refine.ls_number_reflns_obs                   1885 
_refine.ls_number_reflns_all                   ? 
_refine.pdbx_ls_sigma_I                        ? 
_refine.pdbx_ls_sigma_F                        3.000 
_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                          1.700 
_refine.ls_percent_reflns_obs                  ? 
_refine.ls_R_factor_obs                        0.2600000 
_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_Free                ? 
_refine.overall_SU_ML                          ? 
_refine.overall_SU_B                           ? 
_refine.ls_redundancy_reflns_obs               ? 
_refine.correlation_coeff_Fo_to_Fc             ? 
_refine.correlation_coeff_Fo_to_Fc_free        ? 
_refine.overall_SU_R_Cruickshank_DPI           ? 
_refine.overall_SU_R_free                      ? 
_refine.pdbx_diffrn_id                         1 
_refine.pdbx_refine_id                         'X-RAY DIFFRACTION' 
_refine.pdbx_overall_phase_error               ? 
_refine.pdbx_solvent_vdw_probe_radii           ? 
_refine.pdbx_solvent_ion_probe_radii           ? 
_refine.pdbx_solvent_shrinkage_radii           ? 
_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_ESU_R                     ? 
# 
_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             52 
_refine_hist.number_atoms_total               210 
_refine_hist.d_res_high                       1.700 
_refine_hist.d_res_low                        10.000 
# 
_struct.entry_id                  1VTI 
_struct.title                     'DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURES OF D(TGATCA) COMPLEXED WITH DAUNOMYCIN' 
_struct.pdbx_descriptor           
;5'-D(*TP*GP*AP*TP*CP*A)-3', DAUNOMYCIN
;
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1VTI 
_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 ? 
C N N 2 ? 
E N N 3 ? 
# 
_struct_biol.id                    1 
_struct_biol.pdbx_parent_biol_id   ? 
_struct_biol.details               ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_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 DT 1 N3 ? ? ? 1_555 A DA 6 N1 ? ? A DT 1 A DA 6 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog2  hydrog ? A DT 1 O4 ? ? ? 1_555 A DA 6 N6 ? ? A DT 1 A DA 6 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog3  hydrog ? A DG 2 N1 ? ? ? 1_555 A DC 5 N3 ? ? A DG 2 A DC 5 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog4  hydrog ? A DG 2 N2 ? ? ? 1_555 A DC 5 O2 ? ? A DG 2 A DC 5 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog5  hydrog ? A DG 2 O6 ? ? ? 1_555 A DC 5 N4 ? ? A DG 2 A DC 5 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog6  hydrog ? A DA 3 N1 ? ? ? 1_555 A DT 4 N3 ? ? A DA 3 A DT 4 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog7  hydrog ? A DA 3 N6 ? ? ? 1_555 A DT 4 O4 ? ? A DA 3 A DT 4 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog8  hydrog ? A DT 4 N3 ? ? ? 1_555 A DA 3 N1 ? ? A DT 4 A DA 3 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog9  hydrog ? A DT 4 O4 ? ? ? 1_555 A DA 3 N6 ? ? A DT 4 A DA 3 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog10 hydrog ? A DC 5 N3 ? ? ? 1_555 A DG 2 N1 ? ? A DC 5 A DG 2 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog11 hydrog ? A DC 5 N4 ? ? ? 1_555 A DG 2 O6 ? ? A DC 5 A DG 2 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog12 hydrog ? A DC 5 O2 ? ? ? 1_555 A DG 2 N2 ? ? A DC 5 A DG 2 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog13 hydrog ? A DA 6 N1 ? ? ? 1_555 A DT 1 N3 ? ? A DA 6 A DT 1 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog14 hydrog ? A DA 6 N6 ? ? ? 1_555 A DT 1 O4 ? ? A DA 6 A DT 1 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
# 
_struct_conn_type.id          hydrog 
_struct_conn_type.criteria    
'For hydrogen bonding between nucleic acid bases, donor to acceptor distance of 2.2 -3.5 Angstroms was used.' 
_struct_conn_type.reference   ? 
# 
loop_
_struct_site.id 
_struct_site.details 
_struct_site.pdbx_evidence_code 
AC1 'BINDING SITE FOR RESIDUE DM1 A 7' SOFTWARE 
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 10 DT  A 1 ? DT  A 1  . . 8_665 ? 
2  AC1 10 DG  A 2 ? DG  A 2  . . 8_665 ? 
3  AC1 10 DA  A 3 ? DA  A 3  . . 8_665 ? 
4  AC1 10 DT  A 4 ? DT  A 4  . . 1_555 ? 
5  AC1 10 DC  A 5 ? DC  A 5  . . 1_555 ? 
6  AC1 10 DA  A 6 ? DA  A 6  . . 1_555 ? 
7  AC1 10 HOH E . ? HOH A 10 . . 1_555 ? 
8  AC1 10 HOH E . ? HOH A 42 . . 1_555 ? 
9  AC1 10 HOH E . ? HOH A 50 . . 1_555 ? 
10 AC1 10 HOH E . ? HOH A 58 . . 1_555 ? 
# 
_database_PDB_matrix.entry_id          1VTI 
_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                    1VTI 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.035575 
_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]   0.035575 
_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]   0.018911 
_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 
O 
C 
N 
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.Cartn_x_esd 
_atom_site.Cartn_y_esd 
_atom_site.Cartn_z_esd 
_atom_site.occupancy_esd 
_atom_site.B_iso_or_equiv_esd 
_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'" . DT  A 1 1 ? 18.391 7.704  23.078 1.00 18.25 ? ? ? ? ? ? 1  DT  A "O5'" 1 
ATOM   2   C "C5'" . DT  A 1 1 ? 17.969 6.870  24.167 1.00 0.64  ? ? ? ? ? ? 1  DT  A "C5'" 1 
ATOM   3   C "C4'" . DT  A 1 1 ? 16.603 7.426  24.363 1.00 18.66 ? ? ? ? ? ? 1  DT  A "C4'" 1 
ATOM   4   O "O4'" . DT  A 1 1 ? 16.401 8.623  25.040 1.00 13.15 ? ? ? ? ? ? 1  DT  A "O4'" 1 
ATOM   5   C "C3'" . DT  A 1 1 ? 15.971 7.668  22.978 1.00 18.17 ? ? ? ? ? ? 1  DT  A "C3'" 1 
ATOM   6   O "O3'" . DT  A 1 1 ? 14.695 6.974  23.073 1.00 22.58 ? ? ? ? ? ? 1  DT  A "O3'" 1 
ATOM   7   C "C2'" . DT  A 1 1 ? 15.710 9.191  22.909 1.00 16.25 ? ? ? ? ? ? 1  DT  A "C2'" 1 
ATOM   8   C "C1'" . DT  A 1 1 ? 15.325 9.363  24.395 1.00 12.32 ? ? ? ? ? ? 1  DT  A "C1'" 1 
ATOM   9   N N1    . DT  A 1 1 ? 15.698 10.793 24.554 1.00 9.81  ? ? ? ? ? ? 1  DT  A N1    1 
ATOM   10  C C2    . DT  A 1 1 ? 14.729 11.698 24.717 1.00 2.28  ? ? ? ? ? ? 1  DT  A C2    1 
ATOM   11  O O2    . DT  A 1 1 ? 13.559 11.434 24.802 1.00 7.67  ? ? ? ? ? ? 1  DT  A O2    1 
ATOM   12  N N3    . DT  A 1 1 ? 15.232 12.921 24.813 1.00 7.37  ? ? ? ? ? ? 1  DT  A N3    1 
ATOM   13  C C4    . DT  A 1 1 ? 16.592 13.197 24.707 1.00 2.12  ? ? ? ? ? ? 1  DT  A C4    1 
ATOM   14  O O4    . DT  A 1 1 ? 17.048 14.450 24.755 1.00 3.34  ? ? ? ? ? ? 1  DT  A O4    1 
ATOM   15  C C5    . DT  A 1 1 ? 17.545 12.210 24.495 1.00 4.98  ? ? ? ? ? ? 1  DT  A C5    1 
ATOM   16  C C7    . DT  A 1 1 ? 19.026 12.480 24.390 1.00 7.14  ? ? ? ? ? ? 1  DT  A C7    1 
ATOM   17  C C6    . DT  A 1 1 ? 17.059 10.999 24.406 1.00 6.66  ? ? ? ? ? ? 1  DT  A C6    1 
ATOM   18  P P     . DG  A 1 2 ? 14.290 5.818  22.084 1.00 19.61 ? ? ? ? ? ? 2  DG  A P     1 
ATOM   19  O OP1   . DG  A 1 2 ? 13.349 5.394  23.210 1.00 30.46 ? ? ? ? ? ? 2  DG  A OP1   1 
ATOM   20  O OP2   . DG  A 1 2 ? 15.561 5.144  21.857 1.00 16.52 ? ? ? ? ? ? 2  DG  A OP2   1 
ATOM   21  O "O5'" . DG  A 1 2 ? 13.267 6.192  20.921 1.00 14.70 ? ? ? ? ? ? 2  DG  A "O5'" 1 
ATOM   22  C "C5'" . DG  A 1 2 ? 12.027 6.858  21.402 1.00 14.58 ? ? ? ? ? ? 2  DG  A "C5'" 1 
ATOM   23  C "C4'" . DG  A 1 2 ? 11.516 7.640  20.212 1.00 11.30 ? ? ? ? ? ? 2  DG  A "C4'" 1 
ATOM   24  O "O4'" . DG  A 1 2 ? 12.202 8.919  20.059 1.00 8.82  ? ? ? ? ? ? 2  DG  A "O4'" 1 
ATOM   25  C "C3'" . DG  A 1 2 ? 11.802 6.856  18.969 1.00 10.00 ? ? ? ? ? ? 2  DG  A "C3'" 1 
ATOM   26  O "O3'" . DG  A 1 2 ? 11.103 7.184  17.848 1.00 23.41 ? ? ? ? ? ? 2  DG  A "O3'" 1 
ATOM   27  C "C2'" . DG  A 1 2 ? 13.250 7.465  18.678 1.00 10.18 ? ? ? ? ? ? 2  DG  A "C2'" 1 
ATOM   28  C "C1'" . DG  A 1 2 ? 12.986 9.020  18.821 1.00 4.81  ? ? ? ? ? ? 2  DG  A "C1'" 1 
ATOM   29  N N9    . DG  A 1 2 ? 14.119 9.832  18.641 1.00 7.71  ? ? ? ? ? ? 2  DG  A N9    1 
ATOM   30  C C8    . DG  A 1 2 ? 15.479 9.495  18.567 1.00 1.01  ? ? ? ? ? ? 2  DG  A C8    1 
ATOM   31  N N7    . DG  A 1 2 ? 16.311 10.543 18.419 1.00 7.53  ? ? ? ? ? ? 2  DG  A N7    1 
ATOM   32  C C5    . DG  A 1 2 ? 15.417 11.631 18.313 1.00 0.92  ? ? ? ? ? ? 2  DG  A C5    1 
ATOM   33  C C6    . DG  A 1 2 ? 15.771 12.946 18.112 1.00 4.05  ? ? ? ? ? ? 2  DG  A C6    1 
ATOM   34  O O6    . DG  A 1 2 ? 16.955 13.461 17.980 1.00 4.16  ? ? ? ? ? ? 2  DG  A O6    1 
ATOM   35  N N1    . DG  A 1 2 ? 14.568 13.697 18.134 1.00 2.53  ? ? ? ? ? ? 2  DG  A N1    1 
ATOM   36  C C2    . DG  A 1 2 ? 13.363 13.298 18.266 1.00 2.20  ? ? ? ? ? ? 2  DG  A C2    1 
ATOM   37  N N2    . DG  A 1 2 ? 12.474 14.223 18.234 1.00 4.61  ? ? ? ? ? ? 2  DG  A N2    1 
ATOM   38  N N3    . DG  A 1 2 ? 13.056 11.997 18.451 1.00 2.08  ? ? ? ? ? ? 2  DG  A N3    1 
ATOM   39  C C4    . DG  A 1 2 ? 14.141 11.201 18.477 1.00 4.59  ? ? ? ? ? ? 2  DG  A C4    1 
ATOM   40  P P     . DA  A 1 3 ? 10.321 6.327  16.822 1.00 17.70 ? ? ? ? ? ? 3  DA  A P     1 
ATOM   41  O OP1   . DA  A 1 3 ? 9.613  5.116  17.409 1.00 16.10 ? ? ? ? ? ? 3  DA  A OP1   1 
ATOM   42  O OP2   . DA  A 1 3 ? 11.114 5.962  15.632 1.00 16.01 ? ? ? ? ? ? 3  DA  A OP2   1 
ATOM   43  O "O5'" . DA  A 1 3 ? 9.366  7.494  16.357 1.00 8.41  ? ? ? ? ? ? 3  DA  A "O5'" 1 
ATOM   44  C "C5'" . DA  A 1 3 ? 8.742  8.160  17.478 1.00 7.56  ? ? ? ? ? ? 3  DA  A "C5'" 1 
ATOM   45  C "C4'" . DA  A 1 3 ? 8.112  9.368  16.775 1.00 10.20 ? ? ? ? ? ? 3  DA  A "C4'" 1 
ATOM   46  O "O4'" . DA  A 1 3 ? 9.082  10.333 16.923 1.00 5.85  ? ? ? ? ? ? 3  DA  A "O4'" 1 
ATOM   47  C "C3'" . DA  A 1 3 ? 7.817  9.186  15.278 1.00 6.37  ? ? ? ? ? ? 3  DA  A "C3'" 1 
ATOM   48  O "O3'" . DA  A 1 3 ? 6.493  9.649  15.029 1.00 10.30 ? ? ? ? ? ? 3  DA  A "O3'" 1 
ATOM   49  C "C2'" . DA  A 1 3 ? 9.062  9.956  14.707 1.00 19.30 ? ? ? ? ? ? 3  DA  A "C2'" 1 
ATOM   50  C "C1'" . DA  A 1 3 ? 9.475  11.035 15.754 1.00 9.13  ? ? ? ? ? ? 3  DA  A "C1'" 1 
ATOM   51  N N9    . DA  A 1 3 ? 10.889 11.314 15.579 1.00 6.82  ? ? ? ? ? ? 3  DA  A N9    1 
ATOM   52  C C8    . DA  A 1 3 ? 11.853 10.271 15.542 1.00 2.85  ? ? ? ? ? ? 3  DA  A C8    1 
ATOM   53  N N7    . DA  A 1 3 ? 13.014 10.670 15.283 1.00 2.59  ? ? ? ? ? ? 3  DA  A N7    1 
ATOM   54  C C5    . DA  A 1 3 ? 12.958 11.997 15.188 1.00 8.22  ? ? ? ? ? ? 3  DA  A C5    1 
ATOM   55  C C6    . DA  A 1 3 ? 13.899 12.972 14.908 1.00 3.34  ? ? ? ? ? ? 3  DA  A C6    1 
ATOM   56  N N6    . DA  A 1 3 ? 15.234 12.592 14.749 1.00 9.48  ? ? ? ? ? ? 3  DA  A N6    1 
ATOM   57  N N1    . DA  A 1 3 ? 13.408 14.290 14.828 1.00 3.49  ? ? ? ? ? ? 3  DA  A N1    1 
ATOM   58  C C2    . DA  A 1 3 ? 12.188 14.549 15.003 1.00 2.14  ? ? ? ? ? ? 3  DA  A C2    1 
ATOM   59  N N3    . DA  A 1 3 ? 11.122 13.753 15.278 1.00 7.59  ? ? ? ? ? ? 3  DA  A N3    1 
ATOM   60  C C4    . DA  A 1 3 ? 11.642 12.415 15.325 1.00 5.81  ? ? ? ? ? ? 3  DA  A C4    1 
ATOM   61  P P     . DT  A 1 4 ? 5.523  10.220 13.924 1.00 11.44 ? ? ? ? ? ? 4  DT  A P     1 
ATOM   62  O OP1   . DT  A 1 4 ? 4.135  10.712 14.511 1.00 18.19 ? ? ? ? ? ? 4  DT  A OP1   1 
ATOM   63  O OP2   . DT  A 1 4 ? 5.459  8.913  13.178 1.00 6.50  ? ? ? ? ? ? 4  DT  A OP2   1 
ATOM   64  O "O5'" . DT  A 1 4 ? 5.802  11.586 13.136 1.00 10.47 ? ? ? ? ? ? 4  DT  A "O5'" 1 
ATOM   65  C "C5'" . DT  A 1 4 ? 5.388  12.685 13.945 1.00 5.93  ? ? ? ? ? ? 4  DT  A "C5'" 1 
ATOM   66  C "C4'" . DT  A 1 4 ? 6.001  13.764 13.057 1.00 5.44  ? ? ? ? ? ? 4  DT  A "C4'" 1 
ATOM   67  O "O4'" . DT  A 1 4 ? 7.291  13.413 13.041 1.00 10.37 ? ? ? ? ? ? 4  DT  A "O4'" 1 
ATOM   68  C "C3'" . DT  A 1 4 ? 5.709  13.885 11.571 1.00 5.48  ? ? ? ? ? ? 4  DT  A "C3'" 1 
ATOM   69  O "O3'" . DT  A 1 4 ? 5.253  15.201 11.195 1.00 10.90 ? ? ? ? ? ? 4  DT  A "O3'" 1 
ATOM   70  C "C2'" . DT  A 1 4 ? 6.867  13.585 10.677 1.00 2.99  ? ? ? ? ? ? 4  DT  A "C2'" 1 
ATOM   71  C "C1'" . DT  A 1 4 ? 7.851  13.739 11.729 1.00 7.60  ? ? ? ? ? ? 4  DT  A "C1'" 1 
ATOM   72  N N1    . DT  A 1 4 ? 9.149  13.076 11.687 1.00 3.91  ? ? ? ? ? ? 4  DT  A N1    1 
ATOM   73  C C2    . DT  A 1 4 ? 10.257 13.916 11.682 1.00 6.39  ? ? ? ? ? ? 4  DT  A C2    1 
ATOM   74  O O2    . DT  A 1 4 ? 10.099 15.091 11.655 1.00 16.48 ? ? ? ? ? ? 4  DT  A O2    1 
ATOM   75  N N3    . DT  A 1 4 ? 11.460 13.363 11.671 1.00 1.77  ? ? ? ? ? ? 4  DT  A N3    1 
ATOM   76  C C4    . DT  A 1 4 ? 11.659 11.991 11.745 1.00 10.64 ? ? ? ? ? ? 4  DT  A C4    1 
ATOM   77  O O4    . DT  A 1 4 ? 12.814 11.561 11.740 1.00 9.38  ? ? ? ? ? ? 4  DT  A O4    1 
ATOM   78  C C5    . DT  A 1 4 ? 10.484 11.145 11.756 1.00 6.19  ? ? ? ? ? ? 4  DT  A C5    1 
ATOM   79  C C7    . DT  A 1 4 ? 10.768 9.658  11.782 1.00 0.63  ? ? ? ? ? ? 4  DT  A C7    1 
ATOM   80  C C6    . DT  A 1 4 ? 9.301  11.682 11.735 1.00 7.37  ? ? ? ? ? ? 4  DT  A C6    1 
ATOM   81  P P     . DC  A 1 5 ? 4.255  15.212 9.916  1.00 10.29 ? ? ? ? ? ? 5  DC  A P     1 
ATOM   82  O OP1   . DC  A 1 5 ? 3.182  16.230 9.963  1.00 22.14 ? ? ? ? ? ? 5  DC  A OP1   1 
ATOM   83  O OP2   . DC  A 1 5 ? 3.491  13.939 9.958  1.00 11.03 ? ? ? ? ? ? 5  DC  A OP2   1 
ATOM   84  O "O5'" . DC  A 1 5 ? 5.428  15.386 8.794  1.00 20.12 ? ? ? ? ? ? 5  DC  A "O5'" 1 
ATOM   85  C "C5'" . DC  A 1 5 ? 6.355  16.409 9.101  1.00 6.42  ? ? ? ? ? ? 5  DC  A "C5'" 1 
ATOM   86  C "C4'" . DC  A 1 5 ? 7.229  16.547 7.927  1.00 3.30  ? ? ? ? ? ? 5  DC  A "C4'" 1 
ATOM   87  O "O4'" . DC  A 1 5 ? 8.497  16.022 8.387  1.00 5.96  ? ? ? ? ? ? 5  DC  A "O4'" 1 
ATOM   88  C "C3'" . DC  A 1 5 ? 6.887  16.033 6.568  1.00 10.10 ? ? ? ? ? ? 5  DC  A "C3'" 1 
ATOM   89  O "O3'" . DC  A 1 5 ? 7.468  16.856 5.537  1.00 13.67 ? ? ? ? ? ? 5  DC  A "O3'" 1 
ATOM   90  C "C2'" . DC  A 1 5 ? 7.637  14.656 6.632  1.00 11.10 ? ? ? ? ? ? 5  DC  A "C2'" 1 
ATOM   91  C "C1'" . DC  A 1 5 ? 8.871  14.976 7.493  1.00 7.85  ? ? ? ? ? ? 5  DC  A "C1'" 1 
ATOM   92  N N1    . DC  A 1 5 ? 9.571  13.829 7.938  1.00 2.05  ? ? ? ? ? ? 5  DC  A N1    1 
ATOM   93  C C2    . DC  A 1 5 ? 10.926 14.023 8.213  1.00 3.03  ? ? ? ? ? ? 5  DC  A C2    1 
ATOM   94  O O2    . DC  A 1 5 ? 11.254 15.175 8.266  1.00 3.15  ? ? ? ? ? ? 5  DC  A O2    1 
ATOM   95  N N3    . DC  A 1 5 ? 11.800 12.930 8.419  1.00 2.03  ? ? ? ? ? ? 5  DC  A N3    1 
ATOM   96  C C4    . DC  A 1 5 ? 11.316 11.651 8.419  1.00 4.58  ? ? ? ? ? ? 5  DC  A C4    1 
ATOM   97  N N4    . DC  A 1 5 ? 12.131 10.540 8.625  1.00 4.51  ? ? ? ? ? ? 5  DC  A N4    1 
ATOM   98  C C5    . DC  A 1 5 ? 10.029 11.468 8.112  1.00 6.13  ? ? ? ? ? ? 5  DC  A C5    1 
ATOM   99  C C6    . DC  A 1 5 ? 9.211  12.528 7.853  1.00 7.79  ? ? ? ? ? ? 5  DC  A C6    1 
ATOM   100 P P     . DA  A 1 6 ? 6.948  18.006 4.638  1.00 5.82  ? ? ? ? ? ? 6  DA  A P     1 
ATOM   101 O OP1   . DA  A 1 6 ? 6.254  19.046 5.584  1.00 13.20 ? ? ? ? ? ? 6  DA  A OP1   1 
ATOM   102 O OP2   . DA  A 1 6 ? 5.889  17.275 3.861  1.00 3.41  ? ? ? ? ? ? 6  DA  A OP2   1 
ATOM   103 O "O5'" . DA  A 1 6 ? 7.879  18.911 3.797  1.00 4.90  ? ? ? ? ? ? 6  DA  A "O5'" 1 
ATOM   104 C "C5'" . DA  A 1 6 ? 8.354  20.092 4.416  1.00 2.56  ? ? ? ? ? ? 6  DA  A "C5'" 1 
ATOM   105 C "C4'" . DA  A 1 6 ? 9.669  20.384 3.633  1.00 12.19 ? ? ? ? ? ? 6  DA  A "C4'" 1 
ATOM   106 O "O4'" . DA  A 1 6 ? 10.703 19.437 3.284  1.00 6.77  ? ? ? ? ? ? 6  DA  A "O4'" 1 
ATOM   107 C "C3'" . DA  A 1 6 ? 9.290  20.865 2.237  1.00 5.71  ? ? ? ? ? ? 6  DA  A "C3'" 1 
ATOM   108 O "O3'" . DA  A 1 6 ? 10.411 21.517 1.708  1.00 3.79  ? ? ? ? ? ? 6  DA  A "O3'" 1 
ATOM   109 C "C2'" . DA  A 1 6 ? 9.264  19.583 1.401  1.00 7.77  ? ? ? ? ? ? 6  DA  A "C2'" 1 
ATOM   110 C "C1'" . DA  A 1 6 ? 10.701 19.167 1.851  1.00 3.21  ? ? ? ? ? ? 6  DA  A "C1'" 1 
ATOM   111 N N9    . DA  A 1 6 ? 10.709 17.730 1.703  1.00 14.71 ? ? ? ? ? ? 6  DA  A N9    1 
ATOM   112 C C8    . DA  A 1 6 ? 9.641  16.901 1.703  1.00 3.67  ? ? ? ? ? ? 6  DA  A C8    1 
ATOM   113 N N7    . DA  A 1 6 ? 9.798  15.569 1.650  1.00 0.31  ? ? ? ? ? ? 6  DA  A N7    1 
ATOM   114 C C5    . DA  A 1 6 ? 11.266 15.583 1.602  1.00 3.73  ? ? ? ? ? ? 6  DA  A C5    1 
ATOM   115 C C6    . DA  A 1 6 ? 12.174 14.509 1.507  1.00 6.47  ? ? ? ? ? ? 6  DA  A C6    1 
ATOM   116 N N6    . DA  A 1 6 ? 11.769 13.230 1.444  1.00 4.04  ? ? ? ? ? ? 6  DA  A N6    1 
ATOM   117 N N1    . DA  A 1 6 ? 13.506 14.785 1.465  1.00 2.41  ? ? ? ? ? ? 6  DA  A N1    1 
ATOM   118 C C2    . DA  A 1 6 ? 13.933 16.140 1.534  1.00 7.01  ? ? ? ? ? ? 6  DA  A C2    1 
ATOM   119 N N3    . DA  A 1 6 ? 13.126 17.303 1.629  1.00 3.43  ? ? ? ? ? ? 6  DA  A N3    1 
ATOM   120 C C4    . DA  A 1 6 ? 11.788 16.851 1.645  1.00 4.40  ? ? ? ? ? ? 6  DA  A C4    1 
HETATM 121 C C1    . DM1 C 2 . ? 12.930 9.810  5.056  1.00 7.57  ? ? ? ? ? ? 7  DM1 A C1    1 
HETATM 122 C C2    . DM1 C 2 . ? 11.763 9.011  5.061  1.00 5.90  ? ? ? ? ? ? 7  DM1 A C2    1 
HETATM 123 C C3    . DM1 C 2 . ? 10.552 9.557  5.008  1.00 2.72  ? ? ? ? ? ? 7  DM1 A C3    1 
HETATM 124 C C4    . DM1 C 2 . ? 10.414 10.973 4.966  1.00 8.96  ? ? ? ? ? ? 7  DM1 A C4    1 
HETATM 125 O O4    . DM1 C 2 . ? 9.236  11.527 4.775  1.00 0.63  ? ? ? ? ? ? 7  DM1 A O4    1 
HETATM 126 C C5    . DM1 C 2 . ? 11.592 11.788 4.934  1.00 11.21 ? ? ? ? ? ? 7  DM1 A C5    1 
HETATM 127 C C6    . DM1 C 2 . ? 11.465 13.343 4.860  1.00 1.42  ? ? ? ? ? ? 7  DM1 A C6    1 
HETATM 128 O O6    . DM1 C 2 . ? 10.403 13.885 4.802  1.00 3.31  ? ? ? ? ? ? 7  DM1 A O6    1 
HETATM 129 C C7    . DM1 C 2 . ? 12.764 14.029 4.833  1.00 6.60  ? ? ? ? ? ? 7  DM1 A C7    1 
HETATM 130 C C8    . DM1 C 2 . ? 12.744 15.434 4.744  1.00 3.20  ? ? ? ? ? ? 7  DM1 A C8    1 
HETATM 131 O O8    . DM1 C 2 . ? 11.530 16.199 4.648  1.00 5.14  ? ? ? ? ? ? 7  DM1 A O8    1 
HETATM 132 C C9    . DM1 C 2 . ? 13.942 16.196 4.733  1.00 8.08  ? ? ? ? ? ? 7  DM1 A C9    1 
HETATM 133 C C10   . DM1 C 2 . ? 13.871 17.770 4.939  1.00 5.01  ? ? ? ? ? ? 7  DM1 A C10   1 
HETATM 134 O O10   . DM1 C 2 . ? 13.461 18.031 6.214  1.00 14.18 ? ? ? ? ? ? 7  DM1 A O10   1 
HETATM 135 C C11   . DM1 C 2 . ? 15.341 18.281 4.643  1.00 3.74  ? ? ? ? ? ? 7  DM1 A C11   1 
HETATM 136 C C12   . DM1 C 2 . ? 16.370 17.626 5.479  1.00 5.86  ? ? ? ? ? ? 7  DM1 A C12   1 
HETATM 137 O O12   . DM1 C 2 . ? 16.185 17.520 6.906  1.00 3.55  ? ? ? ? ? ? 7  DM1 A O12   1 
HETATM 138 C C13   . DM1 C 2 . ? 17.733 18.346 5.225  1.00 10.79 ? ? ? ? ? ? 7  DM1 A C13   1 
HETATM 139 O O13   . DM1 C 2 . ? 18.211 18.231 4.120  1.00 5.79  ? ? ? ? ? ? 7  DM1 A O13   1 
HETATM 140 C C14   . DM1 C 2 . ? 18.613 18.697 6.383  1.00 16.98 ? ? ? ? ? ? 7  DM1 A C14   1 
HETATM 141 C C15   . DM1 C 2 . ? 16.457 16.120 5.103  1.00 6.72  ? ? ? ? ? ? 7  DM1 A C15   1 
HETATM 142 C C16   . DM1 C 2 . ? 15.156 15.524 4.728  1.00 3.67  ? ? ? ? ? ? 7  DM1 A C16   1 
HETATM 143 C C17   . DM1 C 2 . ? 15.204 14.096 4.812  1.00 2.90  ? ? ? ? ? ? 7  DM1 A C17   1 
HETATM 144 O O17   . DM1 C 2 . ? 16.381 13.438 4.807  1.00 6.02  ? ? ? ? ? ? 7  DM1 A O17   1 
HETATM 145 C C18   . DM1 C 2 . ? 13.956 13.408 4.855  1.00 3.51  ? ? ? ? ? ? 7  DM1 A C18   1 
HETATM 146 C C19   . DM1 C 2 . ? 14.034 11.946 4.908  1.00 2.58  ? ? ? ? ? ? 7  DM1 A C19   1 
HETATM 147 O O19   . DM1 C 2 . ? 15.226 11.373 4.976  1.00 13.62 ? ? ? ? ? ? 7  DM1 A O19   1 
HETATM 148 C C20   . DM1 C 2 . ? 12.809 11.167 4.945  1.00 3.66  ? ? ? ? ? ? 7  DM1 A C20   1 
HETATM 149 C C21   . DM1 C 2 . ? 8.053  10.931 5.235  1.00 8.57  ? ? ? ? ? ? 7  DM1 A C21   1 
HETATM 150 C "C1'" . DM1 C 2 . ? 12.238 18.661 6.372  1.00 5.06  ? ? ? ? ? ? 7  DM1 A "C1'" 1 
HETATM 151 C "C2'" . DM1 C 2 . ? 11.153 18.065 7.277  1.00 4.85  ? ? ? ? ? ? 7  DM1 A "C2'" 1 
HETATM 152 C "C3'" . DM1 C 2 . ? 11.741 17.851 8.673  1.00 14.18 ? ? ? ? ? ? 7  DM1 A "C3'" 1 
HETATM 153 N "N3'" . DM1 C 2 . ? 10.630 17.359 9.572  1.00 11.06 ? ? ? ? ? ? 7  DM1 A "N3'" 1 
HETATM 154 C "C4'" . DM1 C 2 . ? 12.488 19.049 9.297  1.00 22.81 ? ? ? ? ? ? 7  DM1 A "C4'" 1 
HETATM 155 O "O4'" . DM1 C 2 . ? 11.316 19.965 9.461  1.00 14.77 ? ? ? ? ? ? 7  DM1 A "O4'" 1 
HETATM 156 C "C5'" . DM1 C 2 . ? 12.899 20.041 8.139  1.00 19.49 ? ? ? ? ? ? 7  DM1 A "C5'" 1 
HETATM 157 O "O5'" . DM1 C 2 . ? 12.913 19.740 6.901  1.00 16.91 ? ? ? ? ? ? 7  DM1 A "O5'" 1 
HETATM 158 C "C6'" . DM1 C 2 . ? 14.181 20.780 8.689  1.00 21.47 ? ? ? ? ? ? 7  DM1 A "C6'" 1 
HETATM 159 O O     . HOH E 3 . ? 0.172  15.563 9.598  1.00 45.70 ? ? ? ? ? ? 8  HOH A O     1 
HETATM 160 O O     . HOH E 3 . ? 19.167 16.390 25.082 1.00 20.49 ? ? ? ? ? ? 9  HOH A O     1 
HETATM 161 O O     . HOH E 3 . ? 12.892 23.184 8.090  1.00 18.30 ? ? ? ? ? ? 10 HOH A O     1 
HETATM 162 O O     . HOH E 3 . ? 6.484  8.815  10.762 1.00 33.54 ? ? ? ? ? ? 11 HOH A O     1 
HETATM 163 O O     . HOH E 3 . ? 18.829 7.432  20.392 1.00 16.96 ? ? ? ? ? ? 12 HOH A O     1 
HETATM 164 O O     . HOH E 3 . ? 14.419 19.630 1.426  1.00 8.15  ? ? ? ? ? ? 13 HOH A O     1 
HETATM 165 O O     . HOH E 3 . ? 4.294  22.175 4.713  1.00 16.92 ? ? ? ? ? ? 14 HOH A O     1 
HETATM 166 O O     . HOH E 3 . ? 16.817 18.352 25.066 1.00 13.22 ? ? ? ? ? ? 15 HOH A O     1 
HETATM 167 O O     . HOH E 3 . ? 19.945 14.906 18.382 1.00 20.33 ? ? ? ? ? ? 16 HOH A O     1 
HETATM 168 O O     . HOH E 3 . ? 15.516 -0.573 20.979 1.00 22.37 ? ? ? ? ? ? 17 HOH A O     1 
HETATM 169 O O     . HOH E 3 . ? 16.685 5.790  19.001 1.00 20.97 ? ? ? ? ? ? 18 HOH A O     1 
HETATM 170 O O     . HOH E 3 . ? 14.273 1.678  20.302 1.00 28.18 ? ? ? ? ? ? 19 HOH A O     1 
HETATM 171 O O     . HOH E 3 . ? 16.305 8.286  15.045 1.00 35.92 ? ? ? ? ? ? 20 HOH A O     1 
HETATM 172 O O     . HOH E 3 . ? 9.455  5.913  10.951 1.00 52.47 ? ? ? ? ? ? 21 HOH A O     1 
HETATM 173 O O     . HOH E 3 . ? 13.152 4.582  18.525 1.00 7.86  ? ? ? ? ? ? 22 HOH A O     1 
HETATM 174 O O     . HOH E 3 . ? 9.337  16.260 13.505 1.00 19.38 ? ? ? ? ? ? 23 HOH A O     1 
HETATM 175 O O     . HOH E 3 . ? 2.906  19.068 9.202  1.00 12.80 ? ? ? ? ? ? 24 HOH A O     1 
HETATM 176 O O     . HOH E 3 . ? 10.479 22.085 11.920 1.00 22.25 ? ? ? ? ? ? 25 HOH A O     1 
HETATM 177 O O     . HOH E 3 . ? 4.064  9.225  9.683  1.00 31.58 ? ? ? ? ? ? 26 HOH A O     1 
HETATM 178 O O     . HOH E 3 . ? 11.057 3.734  21.501 1.00 50.67 ? ? ? ? ? ? 27 HOH A O     1 
HETATM 179 O O     . HOH E 3 . ? 14.168 23.818 5.547  1.00 54.18 ? ? ? ? ? ? 28 HOH A O     1 
HETATM 180 O O     . HOH E 3 . ? 12.842 27.076 22.553 1.00 27.30 ? ? ? ? ? ? 29 HOH A O     1 
HETATM 181 O O     . HOH E 3 . ? 6.248  18.191 11.918 1.00 57.96 ? ? ? ? ? ? 30 HOH A O     1 
HETATM 182 O O     . HOH E 3 . ? 5.644  12.185 7.842  1.00 11.47 ? ? ? ? ? ? 31 HOH A O     1 
HETATM 183 O O     . HOH E 3 . ? 13.058 3.515  24.842 1.00 50.50 ? ? ? ? ? ? 32 HOH A O     1 
HETATM 184 O O     . HOH E 3 . ? 18.151 21.235 3.028  1.00 35.56 ? ? ? ? ? ? 33 HOH A O     1 
HETATM 185 O O     . HOH E 3 . ? 17.679 10.163 14.705 1.00 28.28 ? ? ? ? ? ? 34 HOH A O     1 
HETATM 186 O O     . HOH E 3 . ? 10.585 7.130  25.287 1.00 48.47 ? ? ? ? ? ? 35 HOH A O     1 
HETATM 187 O O     . HOH E 3 . ? 18.565 4.624  20.191 1.00 18.15 ? ? ? ? ? ? 36 HOH A O     1 
HETATM 188 O O     . HOH E 3 . ? 3.463  18.430 5.479  1.00 50.41 ? ? ? ? ? ? 37 HOH A O     1 
HETATM 189 O O     . HOH E 3 . ? 19.874 14.183 14.922 1.00 49.22 ? ? ? ? ? ? 38 HOH A O     1 
HETATM 190 O O     . HOH E 3 . ? 12.025 2.614  20.757 1.00 44.46 ? ? ? ? ? ? 39 HOH A O     1 
HETATM 191 O O     . HOH E 3 . ? 12.033 24.749 10.014 1.00 34.85 ? ? ? ? ? ? 40 HOH A O     1 
HETATM 192 O O     . HOH E 3 . ? 12.524 24.451 1.750  1.00 48.58 ? ? ? ? ? ? 41 HOH A O     1 
HETATM 193 O O     . HOH E 3 . ? 10.552 21.595 7.441  1.00 26.49 ? ? ? ? ? ? 42 HOH A O     1 
HETATM 194 O O     . HOH E 3 . ? 15.929 5.118  14.654 1.00 52.02 ? ? ? ? ? ? 43 HOH A O     1 
HETATM 195 O O     . HOH E 3 . ? 7.255  21.669 7.583  1.00 33.36 ? ? ? ? ? ? 44 HOH A O     1 
HETATM 196 O O     . HOH E 3 . ? 19.762 10.245 18.455 1.00 40.53 ? ? ? ? ? ? 45 HOH A O     1 
HETATM 197 O O     . HOH E 3 . ? 1.377  11.676 13.517 1.00 27.83 ? ? ? ? ? ? 46 HOH A O     1 
HETATM 198 O O     . HOH E 3 . ? 10.169 24.793 11.051 1.00 63.70 ? ? ? ? ? ? 47 HOH A O     1 
HETATM 199 O O     . HOH E 3 . ? 10.535 4.694  19.831 1.00 55.54 ? ? ? ? ? ? 48 HOH A O     1 
HETATM 200 O O     . HOH E 3 . ? 19.541 9.475  21.682 1.00 36.76 ? ? ? ? ? ? 49 HOH A O     1 
HETATM 201 O O     . HOH E 3 . ? 12.510 21.188 6.239  1.00 42.71 ? ? ? ? ? ? 50 HOH A O     1 
HETATM 202 O O     . HOH E 3 . ? 17.749 0.997  21.508 1.00 29.22 ? ? ? ? ? ? 51 HOH A O     1 
HETATM 203 O O     . HOH E 3 . ? 4.492  19.389 12.650 1.00 60.11 ? ? ? ? ? ? 52 HOH A O     1 
HETATM 204 O O     . HOH E 3 . ? 20.754 11.231 15.329 1.00 27.45 ? ? ? ? ? ? 53 HOH A O     1 
HETATM 205 O O     . HOH E 3 . ? 9.787  4.590  13.178 1.00 55.01 ? ? ? ? ? ? 54 HOH A O     1 
HETATM 206 O O     . HOH E 3 . ? 11.384 1.675  17.822 1.00 45.20 ? ? ? ? ? ? 55 HOH A O     1 
HETATM 207 O O     . HOH E 3 . ? 2.202  14.502 14.488 1.00 29.67 ? ? ? ? ? ? 56 HOH A O     1 
HETATM 208 O O     . HOH E 3 . ? 17.255 2.794  21.984 1.00 32.68 ? ? ? ? ? ? 57 HOH A O     1 
HETATM 209 O O     . HOH E 3 . ? 12.932 20.952 4.664  1.00 48.33 ? ? ? ? ? ? 58 HOH A O     1 
HETATM 210 O O     . HOH E 3 . ? 14.319 22.354 -0.311 1.00 40.45 ? ? ? ? ? ? 59 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 DT 1 1 1 DT T 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 DA 6 6 6 DA A A . n 
# 
_struct_site_keywords.site_id   1 
_struct_site_keywords.text      INTERCALATION 
# 
_ndb_struct_conf_na.entry_id   1VTI 
_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.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 DT 1 1_555 A DA 6 8_665 0.280  -0.392 -0.135 11.577  1.161  1 A_DT1:DA6_A A 1 ? A 6 ? 20 1 
1 A DG 2 1_555 A DC 5 8_665 -0.190 -0.419 -0.492 -19.800 -3.287 2 A_DG2:DC5_A A 2 ? A 5 ? 19 1 
1 A DA 3 1_555 A DT 4 8_665 0.461  -0.211 0.050  -9.382  0.881  3 A_DA3:DT4_A A 3 ? A 4 ? 20 1 
1 A DT 4 1_555 A DA 3 8_665 -0.461 -0.211 0.050  9.382   0.881  4 A_DT4:DA3_A A 4 ? A 3 ? 20 1 
1 A DC 5 1_555 A DG 2 8_665 0.190  -0.419 -0.492 19.800  -3.287 5 A_DC5:DG2_A A 5 ? A 2 ? 19 1 
1 A DA 6 1_555 A DT 1 8_665 -0.280 -0.392 -0.135 -11.577 1.161  6 A_DA6:DT1_A A 6 ? A 1 ? 20 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 DT 1 1_555 A DA 6 8_665 A DG 2 1_555 A DC 5 8_665 1.172  1.353 7.264 1.185  -1.481 36.456 2.614  -1.508 7.239 -2.365 -1.892  
36.504 1 AA_DT1DG2:DC5DA6_AA A 1 ? A 6 ? A 2 ? A 5 ? 
1 A DG 2 1_555 A DC 5 8_665 A DA 3 1_555 A DT 4 8_665 -1.093 0.081 3.088 -6.227 -0.627 31.583 0.255  0.886  3.236 -1.138 11.302  
32.182 2 AA_DG2DA3:DT4DC5_AA A 2 ? A 5 ? A 3 ? A 4 ? 
1 A DA 3 1_555 A DT 4 8_665 A DT 4 1_555 A DA 3 8_665 0.000  0.185 3.051 0.000  3.564  27.292 -0.430 0.000  3.049 7.513  0.000   
27.519 3 AA_DA3DT4:DA3DT4_AA A 3 ? A 4 ? A 4 ? A 3 ? 
1 A DT 4 1_555 A DA 3 8_665 A DC 5 1_555 A DG 2 8_665 1.093  0.081 3.088 6.227  -0.627 31.583 0.255  -0.886 3.236 -1.138 -11.302 
32.182 4 AA_DT4DC5:DG2DA3_AA A 4 ? A 3 ? A 5 ? A 2 ? 
1 A DC 5 1_555 A DG 2 8_665 A DA 6 1_555 A DT 1 8_665 -1.172 1.353 7.264 -1.185 -1.481 36.456 2.614  1.508  7.239 -2.365 1.892   
36.504 5 AA_DC5DA6:DT1DG2_AA A 5 ? A 2 ? A 6 ? A 1 ? 
# 
_software.name             NUCLSQ 
_software.classification   refinement 
_software.version          . 
_software.citation_id      ? 
_software.pdbx_ordinal     1 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
1VTI 2011-06-15 3 2    'Version format compliance' 'compliance with PDB format V.3.15' 
1VTI 2011-07-13 4 0000 'Initial release'           'Initial release'                   
# 
_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,C,E 
# 
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_665 -y+1,-x+1,-z+1/2 0.0000000000 -1.0000000000 0.0000000000 28.1100000000 -1.0000000000 
0.0000000000 0.0000000000 28.1100000000 0.0000000000 0.0000000000 -1.0000000000 26.4400000000 
# 
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 
C 2 DM1 1  7  7  DM1 DM1 A . 
E 3 HOH 1  8  8  HOH HOH A . 
E 3 HOH 2  9  9  HOH HOH A . 
E 3 HOH 3  10 10 HOH HOH A . 
E 3 HOH 4  11 11 HOH HOH A . 
E 3 HOH 5  12 12 HOH HOH A . 
E 3 HOH 6  13 13 HOH HOH A . 
E 3 HOH 7  14 14 HOH HOH A . 
E 3 HOH 8  15 15 HOH HOH A . 
E 3 HOH 9  16 16 HOH HOH A . 
E 3 HOH 10 17 17 HOH HOH A . 
E 3 HOH 11 18 18 HOH HOH A . 
E 3 HOH 12 19 19 HOH HOH A . 
E 3 HOH 13 20 20 HOH HOH A . 
E 3 HOH 14 21 21 HOH HOH A . 
E 3 HOH 15 22 22 HOH HOH A . 
E 3 HOH 16 23 23 HOH HOH A . 
E 3 HOH 17 24 24 HOH HOH A . 
E 3 HOH 18 25 25 HOH HOH A . 
E 3 HOH 19 26 26 HOH HOH A . 
E 3 HOH 20 27 27 HOH HOH A . 
E 3 HOH 21 28 28 HOH HOH A . 
E 3 HOH 22 29 29 HOH HOH A . 
E 3 HOH 23 30 30 HOH HOH A . 
E 3 HOH 24 31 31 HOH HOH A . 
E 3 HOH 25 32 32 HOH HOH A . 
E 3 HOH 26 33 33 HOH HOH A . 
E 3 HOH 27 34 34 HOH HOH A . 
E 3 HOH 28 35 35 HOH HOH A . 
E 3 HOH 29 36 36 HOH HOH A . 
E 3 HOH 30 37 37 HOH HOH A . 
E 3 HOH 31 38 38 HOH HOH A . 
E 3 HOH 32 39 39 HOH HOH A . 
E 3 HOH 33 40 40 HOH HOH A . 
E 3 HOH 34 41 41 HOH HOH A . 
E 3 HOH 35 42 42 HOH HOH A . 
E 3 HOH 36 43 43 HOH HOH A . 
E 3 HOH 37 44 44 HOH HOH A . 
E 3 HOH 38 45 45 HOH HOH A . 
E 3 HOH 39 46 46 HOH HOH A . 
E 3 HOH 40 47 47 HOH HOH A . 
E 3 HOH 41 48 48 HOH HOH A . 
E 3 HOH 42 49 49 HOH HOH A . 
E 3 HOH 43 50 50 HOH HOH A . 
E 3 HOH 44 51 51 HOH HOH A . 
E 3 HOH 45 52 52 HOH HOH A . 
E 3 HOH 46 53 53 HOH HOH A . 
E 3 HOH 47 54 54 HOH HOH A . 
E 3 HOH 48 55 55 HOH HOH A . 
E 3 HOH 49 56 56 HOH HOH A . 
E 3 HOH 50 57 57 HOH HOH A . 
E 3 HOH 51 58 58 HOH HOH A . 
E 3 HOH 52 59 59 HOH HOH A . 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 "O5'" A DM1 7  ? ? O A HOH 50 ? ? 1.64 
2 1 O     A HOH 50 ? ? O A HOH 58 ? ? 1.65 
3 1 O     A HOH 27 ? ? O A HOH 39 ? ? 1.66 
4 1 O     A HOH 51 ? ? O A HOH 57 ? ? 1.92 
5 1 O     A HOH 27 ? ? O A HOH 48 ? ? 2.00 
6 1 O     A HOH 40 ? ? O A HOH 47 ? ? 2.13 
# 
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_deviation 
1  1 C4    A DT 1 ? ? C5    A DT 1 ? ? -0.057 
2  1 C4    A DT 1 ? ? O4    A DT 1 ? ? 0.106  
3  1 "C3'" A DG 2 ? ? "C2'" A DG 2 ? ? 0.080  
4  1 "C2'" A DG 2 ? ? "C1'" A DG 2 ? ? 0.065  
5  1 "O3'" A DG 2 ? ? "C3'" A DG 2 ? ? -0.058 
6  1 N1    A DG 2 ? ? C2    A DG 2 ? ? -0.097 
7  1 N7    A DG 2 ? ? C8    A DG 2 ? ? 0.041  
8  1 C6    A DG 2 ? ? O6    A DG 2 ? ? 0.061  
9  1 "O4'" A DA 3 ? ? "C4'" A DA 3 ? ? -0.070 
10 1 N1    A DA 3 ? ? C2    A DA 3 ? ? -0.080 
11 1 N3    A DA 3 ? ? C4    A DA 3 ? ? 0.092  
12 1 C6    A DA 3 ? ? N1    A DA 3 ? ? 0.058  
13 1 C5    A DA 3 ? ? N7    A DA 3 ? ? -0.056 
14 1 N7    A DA 3 ? ? C8    A DA 3 ? ? -0.056 
15 1 C6    A DA 3 ? ? N6    A DA 3 ? ? 0.062  
16 1 "C2'" A DT 4 ? ? "C1'" A DT 4 ? ? -0.069 
17 1 "O4'" A DT 4 ? ? "C4'" A DT 4 ? ? -0.109 
18 1 C2    A DT 4 ? ? N3    A DT 4 ? ? -0.049 
19 1 C4    A DC 5 ? ? N4    A DC 5 ? ? 0.058  
20 1 C2    A DC 5 ? ? N3    A DC 5 ? ? 0.062  
21 1 C4    A DC 5 ? ? C5    A DC 5 ? ? -0.089 
22 1 "C5'" A DA 6 ? ? "C4'" A DA 6 ? ? 0.046  
23 1 N1    A DA 6 ? ? C2    A DA 6 ? ? 0.083  
24 1 C2    A DA 6 ? ? N3    A DA 6 ? ? 0.088  
25 1 N3    A DA 6 ? ? C4    A DA 6 ? ? 0.068  
26 1 C5    A DA 6 ? ? N7    A DA 6 ? ? 0.081  
# 
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_deviation 
1  1 "O5'" A DT 1 ? ? "C5'" A DT 1 ? ? "C4'" A DT 1 ? ? -10.6 
2  1 "C5'" A DT 1 ? ? "C4'" A DT 1 ? ? "O4'" A DT 1 ? ? 11.5  
3  1 "C3'" A DT 1 ? ? "C2'" A DT 1 ? ? "C1'" A DT 1 ? ? -6.2  
4  1 "O4'" A DT 1 ? ? "C1'" A DT 1 ? ? "C2'" A DT 1 ? ? -5.2  
5  1 N1    A DT 1 ? ? "C1'" A DT 1 ? ? "C2'" A DT 1 ? ? -14.1 
6  1 C6    A DT 1 ? ? N1    A DT 1 ? ? C2    A DT 1 ? ? 7.4   
7  1 C2    A DT 1 ? ? N3    A DT 1 ? ? C4    A DT 1 ? ? -4.0  
8  1 N3    A DT 1 ? ? C4    A DT 1 ? ? C5    A DT 1 ? ? 7.6   
9  1 C5    A DT 1 ? ? C6    A DT 1 ? ? N1    A DT 1 ? ? -4.0  
10 1 C5    A DT 1 ? ? C4    A DT 1 ? ? O4    A DT 1 ? ? -8.9  
11 1 C4    A DT 1 ? ? C5    A DT 1 ? ? C7    A DT 1 ? ? 4.9   
12 1 "O5'" A DG 2 ? ? P     A DG 2 ? ? OP2   A DG 2 ? ? 13.0  
13 1 "C4'" A DG 2 ? ? "C3'" A DG 2 ? ? "C2'" A DG 2 ? ? -5.0  
14 1 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? "C2'" A DG 2 ? ? -10.3 
15 1 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9    A DG 2 ? ? 17.0  
16 1 C6    A DG 2 ? ? N1    A DG 2 ? ? C2    A DG 2 ? ? 4.5   
17 1 N3    A DG 2 ? ? C4    A DG 2 ? ? C5    A DG 2 ? ? -4.0  
18 1 C4    A DG 2 ? ? C5    A DG 2 ? ? C6    A DG 2 ? ? 5.4   
19 1 C5    A DG 2 ? ? C6    A DG 2 ? ? N1    A DG 2 ? ? -4.9  
20 1 C8    A DG 2 ? ? N9    A DG 2 ? ? C4    A DG 2 ? ? -3.9  
21 1 N9    A DG 2 ? ? C4    A DG 2 ? ? C5    A DG 2 ? ? 4.7   
22 1 C6    A DG 2 ? ? C5    A DG 2 ? ? N7    A DG 2 ? ? -4.7  
23 1 N1    A DG 2 ? ? C6    A DG 2 ? ? O6    A DG 2 ? ? 4.5   
24 1 "O3'" A DT 1 ? ? P     A DG 2 ? ? "O5'" A DG 2 ? ? 12.8  
25 1 "O3'" A DT 1 ? ? P     A DG 2 ? ? OP1   A DG 2 ? ? -21.0 
26 1 "O5'" A DA 3 ? ? "C5'" A DA 3 ? ? "C4'" A DA 3 ? ? -8.7  
27 1 "C1'" A DA 3 ? ? "O4'" A DA 3 ? ? "C4'" A DA 3 ? ? 6.7   
28 1 "O4'" A DA 3 ? ? "C1'" A DA 3 ? ? "C2'" A DA 3 ? ? -8.0  
29 1 "O4'" A DA 3 ? ? "C1'" A DA 3 ? ? N9    A DA 3 ? ? 9.4   
30 1 C2    A DA 3 ? ? N3    A DA 3 ? ? C4    A DA 3 ? ? -5.0  
31 1 C5    A DA 3 ? ? N7    A DA 3 ? ? C8    A DA 3 ? ? 3.1   
32 1 C8    A DA 3 ? ? N9    A DA 3 ? ? C4    A DA 3 ? ? -3.4  
33 1 N1    A DA 3 ? ? C6    A DA 3 ? ? N6    A DA 3 ? ? 6.9   
34 1 C5    A DA 3 ? ? C6    A DA 3 ? ? N6    A DA 3 ? ? -4.9  
35 1 "C3'" A DG 2 ? ? "O3'" A DG 2 ? ? P     A DA 3 ? ? 12.5  
36 1 "O5'" A DT 4 ? ? P     A DT 4 ? ? OP1   A DT 4 ? ? -11.7 
37 1 "O5'" A DT 4 ? ? P     A DT 4 ? ? OP2   A DT 4 ? ? 9.6   
38 1 "O5'" A DT 4 ? ? "C5'" A DT 4 ? ? "C4'" A DT 4 ? ? -13.8 
39 1 P     A DT 4 ? ? "O5'" A DT 4 ? ? "C5'" A DT 4 ? ? -11.8 
40 1 "O4'" A DT 4 ? ? "C4'" A DT 4 ? ? "C3'" A DT 4 ? ? -3.3  
41 1 "C5'" A DT 4 ? ? "C4'" A DT 4 ? ? "C3'" A DT 4 ? ? 7.6   
42 1 "C4'" A DT 4 ? ? "C3'" A DT 4 ? ? "C2'" A DT 4 ? ? 11.8  
43 1 "C3'" A DT 4 ? ? "C2'" A DT 4 ? ? "C1'" A DT 4 ? ? -8.4  
44 1 "O4'" A DT 4 ? ? "C1'" A DT 4 ? ? "C2'" A DT 4 ? ? 4.8   
45 1 C2    A DT 4 ? ? N3    A DT 4 ? ? C4    A DT 4 ? ? -4.3  
46 1 C4    A DT 4 ? ? C5    A DT 4 ? ? C7    A DT 4 ? ? -4.1  
47 1 "C3'" A DA 3 ? ? "O3'" A DA 3 ? ? P     A DT 4 ? ? 24.6  
48 1 "O3'" A DA 3 ? ? P     A DT 4 ? ? "O5'" A DT 4 ? ? 19.1  
49 1 OP1   A DC 5 ? ? P     A DC 5 ? ? OP2   A DC 5 ? ? -17.1 
50 1 "O5'" A DC 5 ? ? P     A DC 5 ? ? OP1   A DC 5 ? ? 7.3   
51 1 "O5'" A DC 5 ? ? P     A DC 5 ? ? OP2   A DC 5 ? ? 8.0   
52 1 "O4'" A DC 5 ? ? "C4'" A DC 5 ? ? "C3'" A DC 5 ? ? 5.4   
53 1 "C5'" A DC 5 ? ? "C4'" A DC 5 ? ? "C3'" A DC 5 ? ? 8.3   
54 1 "O4'" A DC 5 ? ? "C1'" A DC 5 ? ? N1    A DC 5 ? ? 13.5  
55 1 C6    A DC 5 ? ? N1    A DC 5 ? ? C2    A DC 5 ? ? -6.4  
56 1 N3    A DC 5 ? ? C4    A DC 5 ? ? C5    A DC 5 ? ? -3.9  
57 1 C4    A DC 5 ? ? C5    A DC 5 ? ? C6    A DC 5 ? ? 3.6   
58 1 C5    A DC 5 ? ? C6    A DC 5 ? ? N1    A DC 5 ? ? 4.2   
59 1 N1    A DC 5 ? ? C2    A DC 5 ? ? O2    A DC 5 ? ? -4.8  
60 1 N3    A DC 5 ? ? C4    A DC 5 ? ? N4    A DC 5 ? ? 4.6   
61 1 C6    A DC 5 ? ? N1    A DC 5 ? ? "C1'" A DC 5 ? ? 8.1   
62 1 OP1   A DA 6 ? ? P     A DA 6 ? ? OP2   A DA 6 ? ? -10.8 
63 1 "O5'" A DA 6 ? ? "C5'" A DA 6 ? ? "C4'" A DA 6 ? ? -6.7  
64 1 "O4'" A DA 6 ? ? "C4'" A DA 6 ? ? "C3'" A DA 6 ? ? -5.1  
65 1 "C5'" A DA 6 ? ? "C4'" A DA 6 ? ? "O4'" A DA 6 ? ? 17.3  
66 1 "C3'" A DA 6 ? ? "C2'" A DA 6 ? ? "C1'" A DA 6 ? ? -9.5  
67 1 C2    A DA 6 ? ? N3    A DA 6 ? ? C4    A DA 6 ? ? -4.5  
68 1 C5    A DA 6 ? ? N7    A DA 6 ? ? C8    A DA 6 ? ? -7.7  
69 1 N7    A DA 6 ? ? C8    A DA 6 ? ? N9    A DA 6 ? ? 7.3   
70 1 C8    A DA 6 ? ? N9    A DA 6 ? ? C4    A DA 6 ? ? -2.8  
71 1 N3    A DA 6 ? ? C4    A DA 6 ? ? N9    A DA 6 ? ? -5.2  
72 1 "C3'" A DC 5 ? ? "O3'" A DC 5 ? ? P     A DA 6 ? ? 15.0  
73 1 "O3'" A DC 5 ? ? P     A DA 6 ? ? "O5'" A DA 6 ? ? 19.2  
# 
_pdbx_validate_chiral.id              1 
_pdbx_validate_chiral.PDB_model_num   1 
_pdbx_validate_chiral.auth_comp_id    DT 
_pdbx_validate_chiral.auth_asym_id    A 
_pdbx_validate_chiral.auth_seq_id     1 
_pdbx_validate_chiral.PDB_ins_code    ? 
_pdbx_validate_chiral.details         'Expecting D Found D OUTSIDE RANGE' 
_pdbx_validate_chiral.omega           -48.399 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    DC 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     5 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.rmsd            0.057 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 DAUNOMYCIN DM1 
3 water      HOH 
# 
