data_215D
# 
_entry.id   215D 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.007 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB 215D   
NDB DDF053 
# 
loop_
_database_PDB_rev.num 
_database_PDB_rev.date 
_database_PDB_rev.date_original 
_database_PDB_rev.status 
_database_PDB_rev.replaces 
_database_PDB_rev.mod_type 
1 1996-01-31 1995-06-22 ? 215D 0 
2 2003-04-01 ?          ? 215D 1 
3 2009-02-24 ?          ? 215D 1 
# 
loop_
_database_PDB_rev_record.rev_num 
_database_PDB_rev_record.type 
_database_PDB_rev_record.details 
2 JRNL  ? 
3 VERSN ? 
# 
_pdbx_database_status.status_code    REL 
_pdbx_database_status.entry_id       215D 
_pdbx_database_status.deposit_site   BNL 
_pdbx_database_status.process_site   NDB 
_pdbx_database_status.SG_entry       . 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Gao, Y.-G.'    1 
'Wang, A.H.-J.' 2 
# 
_citation.id                        primary 
_citation.title                     
;Crystal structures of four morpholino-doxorubicin anticancer drugs complexed with d(CGTACG) and d(CGATCG): implications in drug-DNA crosslink.
;
_citation.journal_abbrev            J.Biomol.Struct.Dyn. 
_citation.journal_volume            13 
_citation.page_first                103 
_citation.page_last                 117 
_citation.year                      1995 
_citation.journal_id_ASTM           JBSDD6 
_citation.country                   US 
_citation.journal_id_ISSN           0739-1102 
_citation.journal_id_CSD            0646 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   8527023 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Gao, Y.G.'  1 
primary 'Wang, A.H.' 2 
# 
_cell.entry_id           215D 
_cell.length_a           28.122 
_cell.length_b           28.122 
_cell.length_c           53.029 
_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                         215D 
_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                ? 
# 
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(*CP*GP*TP*AP*CP*G)-3')
;
1809.232 1  ? 
2 non-polymer syn "3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN" 643.643  1  ? 
3 water       nat water                                                  18.015   47 ? 
# 
_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)(DT)(DA)(DC)(DG)' 
_entity_poly.pdbx_seq_one_letter_code_can   CGTACG 
_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 DC n 
1 2 DG n 
1 3 DT n 
1 4 DA 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             215D 
_struct_ref.pdbx_db_accession   215D 
_struct_ref.biol_id             . 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              215D 
_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             215D 
_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 
DC  'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"                    ? 'C9 H14 N3 O7 P'  307.199 
DG  'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE"                   ? 'C10 H14 N5 O7 P' 347.224 
DT  'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE"                           ? 'C10 H15 N2 O8 P' 322.211 
DA  'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE"                   ? 'C10 H14 N5 O6 P' 331.224 
DMM NON-POLYMER   . "3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN" ? 'C32 H37 N O13'   643.643 
HOH NON-POLYMER   . WATER                                                  ? 'H2 O'            18.015  
# 
_exptl.entry_id          215D 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   ? 
# 
_exptl_crystal.id   1 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION' 
_exptl_crystal_grow.temp            ? 
_exptl_crystal_grow.temp_details    'ROOM TEMPERATURE' 
_exptl_crystal_grow.pH              6.00 
_exptl_crystal_grow.pdbx_details    'pH 6.00, VAPOR DIFFUSION' 
_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 BACL2           ? ? ? 
1 4 1 'NA CACODYLATE' ? ? ? 
1 5 1 SPERMINE        ? ? ? 
1 6 2 WATER           ? ? ? 
1 7 2 MPD             ? ? ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           298.00 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               DIFFRACTOMETER 
_diffrn_detector.type                   'RIGAKU AFC-5' 
_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   1.5418 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.type                        RIGAKU 
_diffrn_source.pdbx_synchrotron_site       ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_wavelength             1.5418 
_diffrn_source.pdbx_wavelength_list        ? 
# 
_reflns.entry_id                     215D 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             ? 
_reflns.d_resolution_high            1.700 
_reflns.number_obs                   ? 
_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.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_computing.entry_id                           215D 
_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   'RESTRAINT LEAST SQUARES' 
# 
_refine.entry_id                               215D 
_refine.ls_number_reflns_obs                   1635 
_refine.ls_number_reflns_all                   ? 
_refine.pdbx_ls_sigma_I                        ? 
_refine.pdbx_ls_sigma_F                        2.000 
_refine.pdbx_data_cutoff_high_absF             ? 
_refine.pdbx_data_cutoff_low_absF              ? 
_refine.pdbx_data_cutoff_high_rms_absF         ? 
_refine.ls_d_res_low                           ? 
_refine.ls_d_res_high                          1.700 
_refine.ls_percent_reflns_obs                  ? 
_refine.ls_R_factor_obs                        0.1890000 
_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_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         46 
_refine_hist.number_atoms_solvent             47 
_refine_hist.number_atoms_total               213 
_refine_hist.d_res_high                       1.700 
_refine_hist.d_res_low                        . 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
n_bond_d               0.021 ? ? ? 'X-RAY DIFFRACTION' 
n_angle_d              ?     ? ? ? 'X-RAY DIFFRACTION' 
n_planar_d             ?     ? ? ? 'X-RAY DIFFRACTION' 
n_hb_or_metal_coord    ?     ? ? ? 'X-RAY DIFFRACTION' 
n_sugar_bond_it        ?     ? ? ? 'X-RAY DIFFRACTION' 
n_sugar_angle_it       ?     ? ? ? 'X-RAY DIFFRACTION' 
n_phos_bond_it         ?     ? ? ? 'X-RAY DIFFRACTION' 
n_phos_angle_it        ?     ? ? ? 'X-RAY DIFFRACTION' 
n_bond_angle_restr     ?     ? ? ? 'X-RAY DIFFRACTION' 
n_dihedral_angle_restr ?     ? ? ? 'X-RAY DIFFRACTION' 
n_impr_tor             ?     ? ? ? 'X-RAY DIFFRACTION' 
n_sugar_bond_d         ?     ? ? ? 'X-RAY DIFFRACTION' 
n_sugar_bond_angle_d   ?     ? ? ? 'X-RAY DIFFRACTION' 
n_phos_bond_d          ?     ? ? ? 'X-RAY DIFFRACTION' 
n_phos_bond_angle_d    ?     ? ? ? 'X-RAY DIFFRACTION' 
n_plane_restr          ?     ? ? ? 'X-RAY DIFFRACTION' 
n_chiral_restr         ?     ? ? ? 'X-RAY DIFFRACTION' 
n_singtor_nbd          ?     ? ? ? 'X-RAY DIFFRACTION' 
n_multtor_nbd          ?     ? ? ? 'X-RAY DIFFRACTION' 
n_xhyhbond_nbd         ?     ? ? ? 'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  215D 
_struct.title                     
;CRYSTAL STRUCTURE OF FOUR MORPHOLINO-DOXORUBICIN ANTICANCER DRUGS COMPLEXED WITH D(CGTACG) AND D(CGATCG): IMPLICATIONS IN DRUG-DNA CROSSLINK
;
_struct.pdbx_descriptor           
;5'-D(*CP*GP*TP*AP*CP*G)-3', (S)-3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN
;
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        215D 
_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 ? 
C N N 3 ? 
# 
_struct_biol.id   1 
# 
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 DC 1 N3 ? ? ? 1_555 A DG 6 N1 ? ? A DC 1 A DG 6 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog2  hydrog ? A DC 1 N4 ? ? ? 1_555 A DG 6 O6 ? ? A DC 1 A DG 6 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog3  hydrog ? A DC 1 O2 ? ? ? 1_555 A DG 6 N2 ? ? A DC 1 A DG 6 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog4  hydrog ? A DG 2 N1 ? ? ? 1_555 A DC 5 N3 ? ? A DG 2 A DC 5 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog5  hydrog ? A DG 2 N2 ? ? ? 1_555 A DC 5 O2 ? ? A DG 2 A DC 5 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog6  hydrog ? A DG 2 O6 ? ? ? 1_555 A DC 5 N4 ? ? A DG 2 A DC 5 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog7  hydrog ? A DT 3 N3 ? ? ? 1_555 A DA 4 N1 ? ? A DT 3 A DA 4 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog8  hydrog ? A DT 3 O4 ? ? ? 1_555 A DA 4 N6 ? ? A DT 3 A DA 4 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog9  hydrog ? A DA 4 N1 ? ? ? 1_555 A DT 3 N3 ? ? A DA 4 A DT 3 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog10 hydrog ? A DA 4 N6 ? ? ? 1_555 A DT 3 O4 ? ? A DA 4 A DT 3 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog11 hydrog ? A DC 5 N3 ? ? ? 1_555 A DG 2 N1 ? ? A DC 5 A DG 2 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog12 hydrog ? A DC 5 N4 ? ? ? 1_555 A DG 2 O6 ? ? A DC 5 A DG 2 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog13 hydrog ? A DC 5 O2 ? ? ? 1_555 A DG 2 N2 ? ? A DC 5 A DG 2 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog14 hydrog ? A DG 6 N1 ? ? ? 1_555 A DC 1 N3 ? ? A DG 6 A DC 1 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog15 hydrog ? A DG 6 N2 ? ? ? 1_555 A DC 1 O2 ? ? A DG 6 A DC 1 8_665 ? ? ? ? ? ? WATSON-CRICK ? ? 
hydrog16 hydrog ? A DG 6 O6 ? ? ? 1_555 A DC 1 N4 ? ? A DG 6 A DC 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 
1   ?                                  ?        
AC1 'BINDING SITE FOR RESIDUE DMM A 7' SOFTWARE 
# 
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 15 DC  A 1 ? DC  A 1  . . 8_665 ? 
2  AC1 15 DG  A 2 ? DG  A 2  . . 8_665 ? 
3  AC1 15 DT  A 3 ? DT  A 3  . . 8_665 ? 
4  AC1 15 DA  A 4 ? DA  A 4  . . 8_665 ? 
5  AC1 15 DA  A 4 ? DA  A 4  . . 1_555 ? 
6  AC1 15 DC  A 5 ? DC  A 5  . . 1_555 ? 
7  AC1 15 DG  A 6 ? DG  A 6  . . 1_555 ? 
8  AC1 15 HOH C . ? HOH A 11 . . 1_555 ? 
9  AC1 15 HOH C . ? HOH A 13 . . 1_555 ? 
10 AC1 15 HOH C . ? HOH A 15 . . 1_555 ? 
11 AC1 15 HOH C . ? HOH A 17 . . 1_555 ? 
12 AC1 15 HOH C . ? HOH A 23 . . 1_555 ? 
13 AC1 15 HOH C . ? HOH A 27 . . 1_555 ? 
14 AC1 15 HOH C . ? HOH A 28 . . 1_555 ? 
15 AC1 15 HOH C . ? HOH A 53 . . 1_555 ? 
# 
_database_PDB_matrix.entry_id          215D 
_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                    215D 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.035559 
_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]   0.035559 
_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]   0.018858 
_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'" . DC  A 1 1 ? 9.182  20.450 23.110 1.00 12.14 ? ? ? ? ? ? 1  DC  A "O5'" 1 
ATOM   2   C "C5'" . DC  A 1 1 ? 9.789  21.345 24.059 1.00 11.32 ? ? ? ? ? ? 1  DC  A "C5'" 1 
ATOM   3   C "C4'" . DC  A 1 1 ? 11.249 20.985 24.218 1.00 11.13 ? ? ? ? ? ? 1  DC  A "C4'" 1 
ATOM   4   O "O4'" . DC  A 1 1 ? 11.367 19.753 24.934 1.00 10.95 ? ? ? ? ? ? 1  DC  A "O4'" 1 
ATOM   5   C "C3'" . DC  A 1 1 ? 12.084 20.841 22.951 1.00 11.30 ? ? ? ? ? ? 1  DC  A "C3'" 1 
ATOM   6   O "O3'" . DC  A 1 1 ? 13.102 21.834 22.972 1.00 12.04 ? ? ? ? ? ? 1  DC  A "O3'" 1 
ATOM   7   C "C2'" . DC  A 1 1 ? 12.680 19.427 23.009 1.00 10.67 ? ? ? ? ? ? 1  DC  A "C2'" 1 
ATOM   8   C "C1'" . DC  A 1 1 ? 12.481 18.994 24.425 1.00 10.03 ? ? ? ? ? ? 1  DC  A "C1'" 1 
ATOM   9   N N1    . DC  A 1 1 ? 12.078 17.596 24.547 1.00 9.31  ? ? ? ? ? ? 1  DC  A N1    1 
ATOM   10  C C2    . DC  A 1 1 ? 13.082 16.657 24.717 1.00 8.88  ? ? ? ? ? ? 1  DC  A C2    1 
ATOM   11  O O2    . DC  A 1 1 ? 14.238 17.028 24.759 1.00 8.63  ? ? ? ? ? ? 1  DC  A O2    1 
ATOM   12  N N3    . DC  A 1 1 ? 12.711 15.360 24.791 1.00 8.56  ? ? ? ? ? ? 1  DC  A N3    1 
ATOM   13  C C4    . DC  A 1 1 ? 11.432 14.961 24.786 1.00 8.39  ? ? ? ? ? ? 1  DC  A C4    1 
ATOM   14  N N4    . DC  A 1 1 ? 11.184 13.664 24.908 1.00 8.10  ? ? ? ? ? ? 1  DC  A N4    1 
ATOM   15  C C5    . DC  A 1 1 ? 10.391 15.903 24.648 1.00 8.74  ? ? ? ? ? ? 1  DC  A C5    1 
ATOM   16  C C6    . DC  A 1 1 ? 10.776 17.202 24.563 1.00 9.08  ? ? ? ? ? ? 1  DC  A C6    1 
ATOM   17  P P     . DG  A 1 2 ? 13.738 22.872 21.927 1.00 20.11 ? ? ? ? ? ? 2  DG  A P     1 
ATOM   18  O OP1   . DG  A 1 2 ? 14.660 23.603 22.850 1.00 16.50 ? ? ? ? ? ? 2  DG  A OP1   1 
ATOM   19  O OP2   . DG  A 1 2 ? 12.627 23.445 21.185 1.00 16.70 ? ? ? ? ? ? 2  DG  A OP2   1 
ATOM   20  O "O5'" . DG  A 1 2 ? 14.525 21.879 20.893 1.00 15.06 ? ? ? ? ? ? 2  DG  A "O5'" 1 
ATOM   21  C "C5'" . DG  A 1 2 ? 15.790 21.353 21.339 1.00 13.87 ? ? ? ? ? ? 2  DG  A "C5'" 1 
ATOM   22  C "C4'" . DG  A 1 2 ? 16.395 20.675 20.146 1.00 13.44 ? ? ? ? ? ? 2  DG  A "C4'" 1 
ATOM   23  O "O4'" . DG  A 1 2 ? 15.779 19.401 19.950 1.00 12.78 ? ? ? ? ? ? 2  DG  A "O4'" 1 
ATOM   24  C "C3'" . DG  A 1 2 ? 16.218 21.381 18.815 1.00 13.33 ? ? ? ? ? ? 2  DG  A "C3'" 1 
ATOM   25  O "O3'" . DG  A 1 2 ? 17.289 20.962 18.003 1.00 14.51 ? ? ? ? ? ? 2  DG  A "O3'" 1 
ATOM   26  C "C2'" . DG  A 1 2 ? 14.874 20.824 18.327 1.00 12.88 ? ? ? ? ? ? 2  DG  A "C2'" 1 
ATOM   27  C "C1'" . DG  A 1 2 ? 15.183 19.351 18.672 1.00 12.11 ? ? ? ? ? ? 2  DG  A "C1'" 1 
ATOM   28  N N9    . DG  A 1 2 ? 14.005 18.493 18.565 1.00 11.15 ? ? ? ? ? ? 2  DG  A N9    1 
ATOM   29  C C8    . DG  A 1 2 ? 12.706 18.819 18.481 1.00 11.03 ? ? ? ? ? ? 2  DG  A C8    1 
ATOM   30  N N7    . DG  A 1 2 ? 11.890 17.784 18.332 1.00 11.04 ? ? ? ? ? ? 2  DG  A N7    1 
ATOM   31  C C5    . DG  A 1 2 ? 12.762 16.702 18.306 1.00 10.51 ? ? ? ? ? ? 2  DG  A C5    1 
ATOM   32  C C6    . DG  A 1 2 ? 12.517 15.304 18.168 1.00 10.31 ? ? ? ? ? ? 2  DG  A C6    1 
ATOM   33  O O6    . DG  A 1 2 ? 11.395 14.778 18.072 1.00 10.15 ? ? ? ? ? ? 2  DG  A O6    1 
ATOM   34  N N1    . DG  A 1 2 ? 13.639 14.542 18.178 1.00 9.60  ? ? ? ? ? ? 2  DG  A N1    1 
ATOM   35  C C2    . DG  A 1 2 ? 14.860 15.059 18.343 1.00 9.70  ? ? ? ? ? ? 2  DG  A C2    1 
ATOM   36  N N2    . DG  A 1 2 ? 15.880 14.202 18.332 1.00 9.58  ? ? ? ? ? ? 2  DG  A N2    1 
ATOM   37  N N3    . DG  A 1 2 ? 15.172 16.359 18.433 1.00 10.22 ? ? ? ? ? ? 2  DG  A N3    1 
ATOM   38  C C4    . DG  A 1 2 ? 14.050 17.118 18.406 1.00 10.57 ? ? ? ? ? ? 2  DG  A C4    1 
ATOM   39  P P     . DT  A 1 3 ? 18.341 21.682 17.070 1.00 20.18 ? ? ? ? ? ? 3  DT  A P     1 
ATOM   40  O OP1   . DT  A 1 3 ? 18.949 22.829 17.722 1.00 20.17 ? ? ? ? ? ? 3  DT  A OP1   1 
ATOM   41  O OP2   . DT  A 1 3 ? 17.334 21.868 15.919 1.00 18.85 ? ? ? ? ? ? 3  DT  A OP2   1 
ATOM   42  O "O5'" . DT  A 1 3 ? 19.342 20.549 16.587 1.00 15.05 ? ? ? ? ? ? 3  DT  A "O5'" 1 
ATOM   43  C "C5'" . DT  A 1 3 ? 20.265 19.789 17.409 1.00 13.62 ? ? ? ? ? ? 3  DT  A "C5'" 1 
ATOM   44  C "C4'" . DT  A 1 3 ? 20.099 18.395 16.831 1.00 12.82 ? ? ? ? ? ? 3  DT  A "C4'" 1 
ATOM   45  O "O4'" . DT  A 1 3 ? 18.746 18.060 16.895 1.00 12.15 ? ? ? ? ? ? 3  DT  A "O4'" 1 
ATOM   46  C "C3'" . DT  A 1 3 ? 20.400 18.265 15.331 1.00 12.70 ? ? ? ? ? ? 3  DT  A "C3'" 1 
ATOM   47  O "O3'" . DT  A 1 3 ? 21.724 18.215 15.028 1.00 12.71 ? ? ? ? ? ? 3  DT  A "O3'" 1 
ATOM   48  C "C2'" . DT  A 1 3 ? 19.697 16.896 15.018 1.00 12.38 ? ? ? ? ? ? 3  DT  A "C2'" 1 
ATOM   49  C "C1'" . DT  A 1 3 ? 18.651 16.842 16.068 1.00 11.64 ? ? ? ? ? ? 3  DT  A "C1'" 1 
ATOM   50  N N1    . DT  A 1 3 ? 17.253 16.794 15.585 1.00 11.25 ? ? ? ? ? ? 3  DT  A N1    1 
ATOM   51  C C2    . DT  A 1 3 ? 16.758 15.506 15.453 1.00 10.67 ? ? ? ? ? ? 3  DT  A C2    1 
ATOM   52  O O2    . DT  A 1 3 ? 17.506 14.542 15.591 1.00 10.64 ? ? ? ? ? ? 3  DT  A O2    1 
ATOM   53  N N3    . DT  A 1 3 ? 15.442 15.366 15.124 1.00 10.46 ? ? ? ? ? ? 3  DT  A N3    1 
ATOM   54  C C4    . DT  A 1 3 ? 14.629 16.457 14.970 1.00 10.07 ? ? ? ? ? ? 3  DT  A C4    1 
ATOM   55  O O4    . DT  A 1 3 ? 13.451 16.173 14.747 1.00 10.22 ? ? ? ? ? ? 3  DT  A O4    1 
ATOM   56  C C5    . DT  A 1 3 ? 15.138 17.762 15.145 1.00 10.45 ? ? ? ? ? ? 3  DT  A C5    1 
ATOM   57  C C7    . DT  A 1 3 ? 14.244 18.971 14.954 1.00 10.02 ? ? ? ? ? ? 3  DT  A C7    1 
ATOM   58  C C6    . DT  A 1 3 ? 16.451 17.902 15.463 1.00 10.60 ? ? ? ? ? ? 3  DT  A C6    1 
ATOM   59  P P     . DA  A 1 4 ? 22.621 17.964 13.719 1.00 15.01 ? ? ? ? ? ? 4  DA  A P     1 
ATOM   60  O OP1   . DA  A 1 4 ? 23.977 17.911 14.403 1.00 14.13 ? ? ? ? ? ? 4  DA  A OP1   1 
ATOM   61  O OP2   . DA  A 1 4 ? 22.309 19.075 12.881 1.00 15.32 ? ? ? ? ? ? 4  DA  A OP2   1 
ATOM   62  O "O5'" . DA  A 1 4 ? 22.087 16.575 13.199 1.00 11.25 ? ? ? ? ? ? 4  DA  A "O5'" 1 
ATOM   63  C "C5'" . DA  A 1 4 ? 22.768 15.481 13.809 1.00 11.19 ? ? ? ? ? ? 4  DA  A "C5'" 1 
ATOM   64  C "C4'" . DA  A 1 4 ? 22.309 14.247 13.045 1.00 10.85 ? ? ? ? ? ? 4  DA  A "C4'" 1 
ATOM   65  O "O4'" . DA  A 1 4 ? 20.917 14.190 13.088 1.00 10.89 ? ? ? ? ? ? 4  DA  A "O4'" 1 
ATOM   66  C "C3'" . DA  A 1 4 ? 22.731 14.308 11.576 1.00 10.93 ? ? ? ? ? ? 4  DA  A "C3'" 1 
ATOM   67  O "O3'" . DA  A 1 4 ? 23.178 13.057 11.152 1.00 11.44 ? ? ? ? ? ? 4  DA  A "O3'" 1 
ATOM   68  C "C2'" . DA  A 1 4 ? 21.451 14.840 10.908 1.00 10.84 ? ? ? ? ? ? 4  DA  A "C2'" 1 
ATOM   69  C "C1'" . DA  A 1 4 ? 20.408 14.117 11.730 1.00 10.34 ? ? ? ? ? ? 4  DA  A "C1'" 1 
ATOM   70  N N9    . DA  A 1 4 ? 19.126 14.812 11.714 1.00 9.97  ? ? ? ? ? ? 4  DA  A N9    1 
ATOM   71  C C8    . DA  A 1 4 ? 18.904 16.176 11.815 1.00 9.71  ? ? ? ? ? ? 4  DA  A C8    1 
ATOM   72  N N7    . DA  A 1 4 ? 17.661 16.505 11.804 1.00 9.52  ? ? ? ? ? ? 4  DA  A N7    1 
ATOM   73  C C5    . DA  A 1 4 ? 16.994 15.298 11.772 1.00 9.41  ? ? ? ? ? ? 4  DA  A C5    1 
ATOM   74  C C6    . DA  A 1 4 ? 15.616 14.975 11.746 1.00 9.23  ? ? ? ? ? ? 4  DA  A C6    1 
ATOM   75  N N6    . DA  A 1 4 ? 14.643 15.852 11.741 1.00 9.08  ? ? ? ? ? ? 4  DA  A N6    1 
ATOM   76  N N1    . DA  A 1 4 ? 15.371 13.653 11.682 1.00 9.22  ? ? ? ? ? ? 4  DA  A N1    1 
ATOM   77  C C2    . DA  A 1 4 ? 16.345 12.714 11.661 1.00 9.31  ? ? ? ? ? ? 4  DA  A C2    1 
ATOM   78  N N3    . DA  A 1 4 ? 17.652 12.933 11.645 1.00 9.59  ? ? ? ? ? ? 4  DA  A N3    1 
ATOM   79  C C4    . DA  A 1 4 ? 17.891 14.255 11.704 1.00 9.54  ? ? ? ? ? ? 4  DA  A C4    1 
ATOM   80  P P     . DC  A 1 5 ? 23.867 12.742 9.694  1.00 14.44 ? ? ? ? ? ? 5  DC  A P     1 
ATOM   81  O OP1   . DC  A 1 5 ? 24.832 11.741 9.954  1.00 15.04 ? ? ? ? ? ? 5  DC  A OP1   1 
ATOM   82  O OP2   . DC  A 1 5 ? 24.188 14.137 9.269  1.00 15.27 ? ? ? ? ? ? 5  DC  A OP2   1 
ATOM   83  O "O5'" . DC  A 1 5 ? 22.557 12.270 8.914  1.00 12.91 ? ? ? ? ? ? 5  DC  A "O5'" 1 
ATOM   84  C "C5'" . DC  A 1 5 ? 22.045 10.897 9.041  1.00 12.45 ? ? ? ? ? ? 5  DC  A "C5'" 1 
ATOM   85  C "C4'" . DC  A 1 5 ? 20.816 10.934 8.166  1.00 12.20 ? ? ? ? ? ? 5  DC  A "C4'" 1 
ATOM   86  O "O4'" . DC  A 1 5 ? 19.941 11.941 8.723  1.00 11.88 ? ? ? ? ? ? 5  DC  A "O4'" 1 
ATOM   87  C "C3'" . DC  A 1 5 ? 20.990 11.347 6.703  1.00 12.19 ? ? ? ? ? ? 5  DC  A "C3'" 1 
ATOM   88  O "O3'" . DC  A 1 5 ? 20.284 10.470 5.838  1.00 12.42 ? ? ? ? ? ? 5  DC  A "O3'" 1 
ATOM   89  C "C2'" . DC  A 1 5 ? 20.383 12.762 6.655  1.00 11.77 ? ? ? ? ? ? 5  DC  A "C2'" 1 
ATOM   90  C "C1'" . DC  A 1 5 ? 19.221 12.511 7.636  1.00 11.24 ? ? ? ? ? ? 5  DC  A "C1'" 1 
ATOM   91  N N1    . DC  A 1 5 ? 18.518 13.743 7.949  1.00 10.73 ? ? ? ? ? ? 5  DC  A N1    1 
ATOM   92  C C2    . DC  A 1 5 ? 17.140 13.634 8.113  1.00 10.14 ? ? ? ? ? ? 5  DC  A C2    1 
ATOM   93  O O2    . DC  A 1 5 ? 16.631 12.517 8.044  1.00 10.25 ? ? ? ? ? ? 5  DC  A O2    1 
ATOM   94  N N3    . DC  A 1 5 ? 16.437 14.739 8.373  1.00 10.06 ? ? ? ? ? ? 5  DC  A N3    1 
ATOM   95  C C4    . DC  A 1 5 ? 17.034 15.970 8.432  1.00 10.11 ? ? ? ? ? ? 5  DC  A C4    1 
ATOM   96  N N4    . DC  A 1 5 ? 16.311 17.067 8.607  1.00 10.04 ? ? ? ? ? ? 5  DC  A N4    1 
ATOM   97  C C5    . DC  A 1 5 ? 18.431 16.091 8.225  1.00 10.38 ? ? ? ? ? ? 5  DC  A C5    1 
ATOM   98  C C6    . DC  A 1 5 ? 19.120 14.955 8.023  1.00 10.37 ? ? ? ? ? ? 5  DC  A C6    1 
ATOM   99  P P     . DG  A 1 6 ? 21.120 9.477  4.868  1.00 13.93 ? ? ? ? ? ? 6  DG  A P     1 
ATOM   100 O OP1   . DG  A 1 6 ? 21.783 8.496  5.738  1.00 17.01 ? ? ? ? ? ? 6  DG  A OP1   1 
ATOM   101 O OP2   . DG  A 1 6 ? 21.870 10.478 4.083  1.00 15.97 ? ? ? ? ? ? 6  DG  A OP2   1 
ATOM   102 O "O5'" . DG  A 1 6 ? 19.888 8.965  3.876  1.00 12.34 ? ? ? ? ? ? 6  DG  A "O5'" 1 
ATOM   103 C "C5'" . DG  A 1 6 ? 18.920 8.144  4.555  1.00 10.83 ? ? ? ? ? ? 6  DG  A "C5'" 1 
ATOM   104 C "C4'" . DG  A 1 6 ? 17.962 7.632  3.500  1.00 10.24 ? ? ? ? ? ? 6  DG  A "C4'" 1 
ATOM   105 O "O4'" . DG  A 1 6 ? 17.112 8.695  3.086  1.00 10.03 ? ? ? ? ? ? 6  DG  A "O4'" 1 
ATOM   106 C "C3'" . DG  A 1 6 ? 18.597 7.064  2.248  1.00 10.02 ? ? ? ? ? ? 6  DG  A "C3'" 1 
ATOM   107 O "O3'" . DG  A 1 6 ? 17.902 5.852  1.856  1.00 10.66 ? ? ? ? ? ? 6  DG  A "O3'" 1 
ATOM   108 C "C2'" . DG  A 1 6 ? 18.521 8.192  1.257  1.00 9.64  ? ? ? ? ? ? 6  DG  A "C2'" 1 
ATOM   109 C "C1'" . DG  A 1 6 ? 17.301 8.962  1.649  1.00 9.01  ? ? ? ? ? ? 6  DG  A "C1'" 1 
ATOM   110 N N9    . DG  A 1 6 ? 17.413 10.414 1.564  1.00 7.96  ? ? ? ? ? ? 6  DG  A N9    1 
ATOM   111 C C8    . DG  A 1 6 ? 18.504 11.201 1.591  1.00 7.88  ? ? ? ? ? ? 6  DG  A C8    1 
ATOM   112 N N7    . DG  A 1 6 ? 18.251 12.500 1.612  1.00 7.65  ? ? ? ? ? ? 6  DG  A N7    1 
ATOM   113 C C5    . DG  A 1 6 ? 16.834 12.537 1.564  1.00 7.26  ? ? ? ? ? ? 6  DG  A C5    1 
ATOM   114 C C6    . DG  A 1 6 ? 15.956 13.631 1.517  1.00 6.78  ? ? ? ? ? ? 6  DG  A C6    1 
ATOM   115 O O6    . DG  A 1 6 ? 16.300 14.795 1.506  1.00 6.62  ? ? ? ? ? ? 6  DG  A O6    1 
ATOM   116 N N1    . DG  A 1 6 ? 14.607 13.305 1.506  1.00 6.66  ? ? ? ? ? ? 6  DG  A N1    1 
ATOM   117 C C2    . DG  A 1 6 ? 14.210 12.005 1.501  1.00 6.55  ? ? ? ? ? ? 6  DG  A C2    1 
ATOM   118 N N2    . DG  A 1 6 ? 12.902 11.792 1.453  1.00 6.90  ? ? ? ? ? ? 6  DG  A N2    1 
ATOM   119 N N3    . DG  A 1 6 ? 15.003 10.939 1.511  1.00 7.24  ? ? ? ? ? ? 6  DG  A N3    1 
ATOM   120 C C4    . DG  A 1 6 ? 16.319 11.280 1.548  1.00 7.46  ? ? ? ? ? ? 6  DG  A C4    1 
HETATM 121 C C1    . DMM B 2 . ? 15.402 18.142 5.154  1.00 9.96  ? ? ? ? ? ? 7  DMM A C1    1 
HETATM 122 C C2    . DMM B 2 . ? 16.586 18.856 5.218  1.00 10.34 ? ? ? ? ? ? 7  DMM A C2    1 
HETATM 123 C C3    . DMM B 2 . ? 17.883 18.167 5.181  1.00 10.32 ? ? ? ? ? ? 7  DMM A C3    1 
HETATM 124 C C4    . DMM B 2 . ? 17.905 16.707 5.075  1.00 10.07 ? ? ? ? ? ? 7  DMM A C4    1 
HETATM 125 O O4    . DMM B 2 . ? 19.005 15.973 4.990  1.00 10.80 ? ? ? ? ? ? 7  DMM A O4    1 
HETATM 126 C C5    . DMM B 2 . ? 16.657 16.058 5.017  1.00 9.80  ? ? ? ? ? ? 7  DMM A C5    1 
HETATM 127 C C6    . DMM B 2 . ? 16.626 14.562 4.926  1.00 9.42  ? ? ? ? ? ? 7  DMM A C6    1 
HETATM 128 O O6    . DMM B 2 . ? 17.602 13.799 4.873  1.00 9.59  ? ? ? ? ? ? 7  DMM A O6    1 
HETATM 129 C C7    . DMM B 2 . ? 15.298 13.887 4.889  1.00 9.27  ? ? ? ? ? ? 7  DMM A C7    1 
HETATM 130 C C8    . DMM B 2 . ? 15.256 12.495 4.815  1.00 9.54  ? ? ? ? ? ? 7  DMM A C8    1 
HETATM 131 O O8    . DMM B 2 . ? 16.305 11.744 4.746  1.00 9.53  ? ? ? ? ? ? 7  DMM A O8    1 
HETATM 132 C C9    . DMM B 2 . ? 13.977 11.887 4.804  1.00 9.85  ? ? ? ? ? ? 7  DMM A C9    1 
HETATM 133 C C10   . DMM B 2 . ? 13.951 10.304 4.698  1.00 10.70 ? ? ? ? ? ? 7  DMM A C10   1 
HETATM 134 O O10   . DMM B 2 . ? 14.671 9.961  5.907  1.00 11.16 ? ? ? ? ? ? 7  DMM A O10   1 
HETATM 135 C C11   . DMM B 2 . ? 12.599 9.716  4.651  1.00 10.68 ? ? ? ? ? ? 7  DMM A C11   1 
HETATM 136 C C12   . DMM B 2 . ? 11.488 10.509 5.239  1.00 10.88 ? ? ? ? ? ? 7  DMM A C12   1 
HETATM 137 O O12   . DMM B 2 . ? 11.561 10.515 6.719  1.00 11.21 ? ? ? ? ? ? 7  DMM A O12   1 
HETATM 138 C C13   . DMM B 2 . ? 10.144 9.826  4.942  1.00 11.76 ? ? ? ? ? ? 7  DMM A C13   1 
HETATM 139 O O13   . DMM B 2 . ? 9.528  10.295 4.014  1.00 12.18 ? ? ? ? ? ? 7  DMM A O13   1 
HETATM 140 C C14   . DMM B 2 . ? 9.559  8.723  5.833  1.00 12.77 ? ? ? ? ? ? 7  DMM A C14   1 
HETATM 141 O O14   . DMM B 2 . ? 8.389  7.981  5.600  1.00 13.69 ? ? ? ? ? ? 7  DMM A O14   1 
HETATM 142 C C15   . DMM B 2 . ? 11.448 12.000 4.810  1.00 10.40 ? ? ? ? ? ? 7  DMM A C15   1 
HETATM 143 C C16   . DMM B 2 . ? 12.770 12.568 4.842  1.00 9.71  ? ? ? ? ? ? 7  DMM A C16   1 
HETATM 144 C C17   . DMM B 2 . ? 12.874 13.979 4.916  1.00 9.25  ? ? ? ? ? ? 7  DMM A C17   1 
HETATM 145 O O17   . DMM B 2 . ? 11.732 14.730 4.974  1.00 9.20  ? ? ? ? ? ? 7  DMM A O17   1 
HETATM 146 C C18   . DMM B 2 . ? 14.053 14.682 4.969  1.00 9.26  ? ? ? ? ? ? 7  DMM A C18   1 
HETATM 147 C C19   . DMM B 2 . ? 14.148 16.125 5.059  1.00 9.42  ? ? ? ? ? ? 7  DMM A C19   1 
HETATM 148 O O19   . DMM B 2 . ? 13.172 16.856 5.107  1.00 9.61  ? ? ? ? ? ? 7  DMM A O19   1 
HETATM 149 C C20   . DMM B 2 . ? 15.461 16.727 5.059  1.00 9.79  ? ? ? ? ? ? 7  DMM A C20   1 
HETATM 150 C C21   . DMM B 2 . ? 20.380 16.665 5.054  1.00 10.37 ? ? ? ? ? ? 7  DMM A C21   1 
HETATM 151 C "C1'" . DMM B 2 . ? 15.422 8.813  6.013  1.00 12.10 ? ? ? ? ? ? 7  DMM A "C1'" 1 
HETATM 152 C "C2'" . DMM B 2 . ? 16.319 8.988  7.201  1.00 12.29 ? ? ? ? ? ? 7  DMM A "C2'" 1 
HETATM 153 C "C3'" . DMM B 2 . ? 15.484 8.861  8.511  1.00 12.42 ? ? ? ? ? ? 7  DMM A "C3'" 1 
HETATM 154 C "C4'" . DMM B 2 . ? 14.635 7.599  8.469  1.00 12.67 ? ? ? ? ? ? 7  DMM A "C4'" 1 
HETATM 155 O "O4'" . DMM B 2 . ? 15.526 6.420  8.357  1.00 12.66 ? ? ? ? ? ? 7  DMM A "O4'" 1 
HETATM 156 C "C5'" . DMM B 2 . ? 13.653 7.666  7.302  1.00 12.65 ? ? ? ? ? ? 7  DMM A "C5'" 1 
HETATM 157 O "O5'" . DMM B 2 . ? 14.567 7.638  6.082  1.00 12.28 ? ? ? ? ? ? 7  DMM A "O5'" 1 
HETATM 158 C "C6'" . DMM B 2 . ? 12.753 6.426  7.185  1.00 12.77 ? ? ? ? ? ? 7  DMM A "C6'" 1 
HETATM 159 N "N3'" . DMM B 2 . ? 16.477 8.729  9.635  1.00 12.89 ? ? ? ? ? ? 7  DMM A "N3'" 1 
HETATM 160 C C33   . DMM B 2 . ? 15.678 8.577  10.871 1.00 13.15 ? ? ? ? ? ? 7  DMM A C33   1 
HETATM 161 C C23   . DMM B 2 . ? 16.727 8.349  12.032 1.00 13.10 ? ? ? ? ? ? 7  DMM A C23   1 
HETATM 162 O O16   . DMM B 2 . ? 17.483 9.595  12.043 1.00 13.15 ? ? ? ? ? ? 7  DMM A O16   1 
HETATM 163 C C63   . DMM B 2 . ? 18.417 9.651  10.887 1.00 13.17 ? ? ? ? ? ? 7  DMM A C63   1 
HETATM 164 C C53   . DMM B 2 . ? 17.438 9.725  9.619  1.00 12.88 ? ? ? ? ? ? 7  DMM A C53   1 
HETATM 165 O O23   . DMM B 2 . ? 17.607 7.171  11.995 1.00 13.24 ? ? ? ? ? ? 7  DMM A O23   1 
HETATM 166 C C73   . DMM B 2 . ? 18.423 6.434  12.960 1.00 14.07 ? ? ? ? ? ? 7  DMM A C73   1 
HETATM 167 O O     . HOH C 3 . ? 16.347 18.853 11.794 1.00 22.78 ? ? ? ? ? ? 8  HOH A O     1 
HETATM 168 O O     . HOH C 3 . ? 12.900 18.771 10.574 1.00 30.51 ? ? ? ? ? ? 9  HOH A O     1 
HETATM 169 O O     . HOH C 3 . ? 18.215 19.486 8.946  1.00 27.67 ? ? ? ? ? ? 10 HOH A O     1 
HETATM 170 O O     . HOH C 3 . ? 18.873 7.011  8.755  1.00 18.60 ? ? ? ? ? ? 11 HOH A O     1 
HETATM 171 O O     . HOH C 3 . ? 22.588 15.622 7.695  1.00 19.27 ? ? ? ? ? ? 12 HOH A O     1 
HETATM 172 O O     . HOH C 3 . ? 14.216 5.745  3.892  1.00 25.72 ? ? ? ? ? ? 13 HOH A O     1 
HETATM 173 O O     . HOH C 3 . ? 21.342 23.749 16.041 1.00 36.08 ? ? ? ? ? ? 14 HOH A O     1 
HETATM 174 O O     . HOH C 3 . ? 19.759 14.590 2.482  1.00 34.13 ? ? ? ? ? ? 15 HOH A O     1 
HETATM 175 O O     . HOH C 3 . ? 6.280  9.086  3.564  1.00 48.29 ? ? ? ? ? ? 16 HOH A O     1 
HETATM 176 O O     . HOH C 3 . ? 8.572  11.820 1.745  1.00 28.72 ? ? ? ? ? ? 17 HOH A O     1 
HETATM 177 O O     . HOH C 3 . ? 21.769 10.855 0.928  1.00 47.37 ? ? ? ? ? ? 18 HOH A O     1 
HETATM 178 O O     . HOH C 3 . ? 10.993 9.559  0.795  1.00 23.42 ? ? ? ? ? ? 19 HOH A O     1 
HETATM 179 O O     . HOH C 3 . ? 13.957 8.552  1.395  1.00 18.71 ? ? ? ? ? ? 20 HOH A O     1 
HETATM 180 O O     . HOH C 3 . ? 14.477 22.855 15.618 1.00 37.00 ? ? ? ? ? ? 21 HOH A O     1 
HETATM 181 O O     . HOH C 3 . ? 9.202  3.181  2.975  1.00 38.50 ? ? ? ? ? ? 22 HOH A O     1 
HETATM 182 O O     . HOH C 3 . ? 15.093 4.651  10.298 1.00 28.45 ? ? ? ? ? ? 23 HOH A O     1 
HETATM 183 O O     . HOH C 3 . ? 24.483 17.464 17.277 1.00 24.71 ? ? ? ? ? ? 24 HOH A O     1 
HETATM 184 O O     . HOH C 3 . ? 5.141  5.883  6.040  1.00 33.68 ? ? ? ? ? ? 25 HOH A O     1 
HETATM 185 O O     . HOH C 3 . ? 7.840  2.953  5.504  1.00 32.89 ? ? ? ? ? ? 26 HOH A O     1 
HETATM 186 O O     . HOH C 3 . ? 8.847  5.554  6.745  1.00 35.55 ? ? ? ? ? ? 27 HOH A O     1 
HETATM 187 O O     . HOH C 3 . ? 17.202 5.236  6.183  1.00 26.15 ? ? ? ? ? ? 28 HOH A O     1 
HETATM 188 O O     . HOH C 3 . ? 24.719 10.709 4.852  1.00 34.87 ? ? ? ? ? ? 29 HOH A O     1 
HETATM 189 O O     . HOH C 3 . ? 10.563 6.145  3.887  1.00 52.99 ? ? ? ? ? ? 30 HOH A O     1 
HETATM 190 O O     . HOH C 3 . ? 20.341 21.041 12.605 1.00 36.67 ? ? ? ? ? ? 31 HOH A O     1 
HETATM 191 O O     . HOH C 3 . ? 14.320 20.923 11.306 1.00 41.25 ? ? ? ? ? ? 32 HOH A O     1 
HETATM 192 O O     . HOH C 3 . ? 3.369  9.294  1.972  1.00 53.52 ? ? ? ? ? ? 33 HOH A O     1 
HETATM 193 O O     . HOH C 3 . ? 27.014 9.005  6.745  1.00 44.02 ? ? ? ? ? ? 34 HOH A O     1 
HETATM 194 O O     . HOH C 3 . ? 22.036 25.782 18.348 1.00 45.50 ? ? ? ? ? ? 35 HOH A O     1 
HETATM 195 O O     . HOH C 3 . ? 25.524 16.710 10.537 1.00 30.61 ? ? ? ? ? ? 36 HOH A O     1 
HETATM 196 O O     . HOH C 3 . ? 18.091 16.921 1.517  1.00 28.50 ? ? ? ? ? ? 37 HOH A O     1 
HETATM 197 O O     . HOH C 3 . ? 13.878 19.941 8.310  1.00 36.47 ? ? ? ? ? ? 38 HOH A O     1 
HETATM 198 O O     . HOH C 3 . ? 26.747 14.559 12.107 1.00 29.61 ? ? ? ? ? ? 39 HOH A O     1 
HETATM 199 O O     . HOH C 3 . ? 21.004 18.434 8.925  1.00 39.27 ? ? ? ? ? ? 40 HOH A O     1 
HETATM 200 O O     . HOH C 3 . ? 17.610 19.736 1.776  1.00 41.11 ? ? ? ? ? ? 41 HOH A O     1 
HETATM 201 O O     . HOH C 3 . ? 20.855 15.771 0.345  1.00 48.07 ? ? ? ? ? ? 42 HOH A O     1 
HETATM 202 O O     . HOH C 3 . ? 10.914 17.332 12.006 1.00 37.13 ? ? ? ? ? ? 43 HOH A O     1 
HETATM 203 O O     . HOH C 3 . ? 14.244 25.164 13.608 1.00 45.69 ? ? ? ? ? ? 44 HOH A O     1 
HETATM 204 O O     . HOH C 3 . ? 6.147  5.920  3.070  1.00 47.94 ? ? ? ? ? ? 45 HOH A O     1 
HETATM 205 O O     . HOH C 3 . ? 11.983 24.854 5.955  1.00 35.96 ? ? ? ? ? ? 46 HOH A O     1 
HETATM 206 O O     . HOH C 3 . ? 23.741 14.826 5.234  1.00 33.35 ? ? ? ? ? ? 47 HOH A O     1 
HETATM 207 O O     . HOH C 3 . ? 14.477 21.286 3.341  1.00 33.78 ? ? ? ? ? ? 48 HOH A O     1 
HETATM 208 O O     . HOH C 3 . ? 25.723 14.418 2.010  1.00 44.02 ? ? ? ? ? ? 49 HOH A O     1 
HETATM 209 O O     . HOH C 3 . ? 11.957 6.204  -0.164 1.00 47.07 ? ? ? ? ? ? 50 HOH A O     1 
HETATM 210 O O     . HOH C 3 . ? 15.352 5.312  0.339  1.00 29.22 ? ? ? ? ? ? 51 HOH A O     1 
HETATM 211 O O     . HOH C 3 . ? 24.632 8.566  8.495  1.00 40.44 ? ? ? ? ? ? 52 HOH A O     1 
HETATM 212 O O     . HOH C 3 . ? 18.479 3.858  11.841 1.00 40.72 ? ? ? ? ? ? 53 HOH A O     1 
HETATM 213 O O     . HOH C 3 . ? 1.676  13.859 1.103  1.00 35.44 ? ? ? ? ? ? 54 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 DC 1 1 1 DC C A . n 
A 1 2 DG 2 2 2 DG G A . n 
A 1 3 DT 3 3 3 DT T A . n 
A 1 4 DA 4 4 4 DA A A . n 
A 1 5 DC 5 5 5 DC C A . n 
A 1 6 DG 6 6 6 DG G A . n 
# 
_struct_site_keywords.site_id   1 
_struct_site_keywords.text      INTERCALATION 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
215D 2008-05-22 3 2    'Version format compliance' 'compliance with PDB format V.3.15'          
215D 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' 
# 
_software.name             NUCLSQ 
_software.classification   refinement 
_software.version          . 
_software.citation_id      ? 
_software.pdbx_ordinal     1 
# 
loop_
_ndb_struct_conf_na.entry_id 
_ndb_struct_conf_na.feature 
215D 'double helix'        
215D '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 DC 1 1_555 A DG 6 8_665 0.185  -0.226 -0.023 6.743   -1.153 1 A_DC1:DG6_A A 1 ? A 6 ? 19 1 
1 A DG 2 1_555 A DC 5 8_665 -0.160 -0.123 -0.301 -12.982 1.482  2 A_DG2:DC5_A A 2 ? A 5 ? 19 1 
1 A DT 3 1_555 A DA 4 8_665 -0.032 -0.135 0.055  -6.825  1.834  3 A_DT3:DA4_A A 3 ? A 4 ? 20 1 
1 A DA 4 1_555 A DT 3 8_665 0.032  -0.135 0.055  6.825   1.834  4 A_DA4:DT3_A A 4 ? A 3 ? 20 1 
1 A DC 5 1_555 A DG 2 8_665 0.160  -0.123 -0.301 12.982  1.482  5 A_DC5:DG2_A A 5 ? A 2 ? 19 1 
1 A DG 6 1_555 A DC 1 8_665 -0.185 -0.226 -0.023 -6.743  -1.153 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_665 A DG 2 1_555 A DC 5 8_665 1.051  1.187  7.018 1.208  -4.145 34.838 3.291  -1.358 6.867 -6.891 -2.008 
35.096 1 AA_DC1DG2:DC5DG6_AA A 1 ? A 6 ? A 2 ? A 5 ? 
1 A DG 2 1_555 A DC 5 8_665 A DT 3 1_555 A DA 4 8_665 -0.902 -0.231 3.268 -2.924 -1.810 30.898 -0.080 1.116  3.345 -3.384 5.466  
31.084 2 AA_DG2DT3:DA4DC5_AA A 2 ? A 5 ? A 3 ? A 4 ? 
1 A DT 3 1_555 A DA 4 8_665 A DA 4 1_555 A DT 3 8_665 -0.000 0.371  3.093 0.000  9.875  35.866 -0.685 0.000  3.085 15.673 -0.000 
37.157 3 AA_DT3DA4:DT3DA4_AA A 3 ? A 4 ? A 4 ? A 3 ? 
1 A DA 4 1_555 A DT 3 8_665 A DC 5 1_555 A DG 2 8_665 0.902  -0.231 3.268 2.924  -1.810 30.898 -0.080 -1.116 3.345 -3.384 -5.466 
31.084 4 AA_DA4DC5:DG2DT3_AA A 4 ? A 3 ? A 5 ? A 2 ? 
1 A DC 5 1_555 A DG 2 8_665 A DG 6 1_555 A DC 1 8_665 -1.051 1.187  7.018 -1.208 -4.145 34.838 3.291  1.358  6.867 -6.891 2.008  
35.096 5 AA_DC5DG6:DC1DG2_AA A 5 ? A 2 ? A 6 ? A 1 ? 
# 
_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,C 
# 
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 28.1220000000 -1.0000000000 
0.0000000000 0.0000000000 28.1220000000 0.0000000000 0.0000000000 -1.0000000000 26.5145000000 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 DMM 1  7  7  DMM DMM A . 
C 3 HOH 1  8  8  HOH HOH A . 
C 3 HOH 2  9  9  HOH HOH A . 
C 3 HOH 3  10 10 HOH HOH A . 
C 3 HOH 4  11 11 HOH HOH A . 
C 3 HOH 5  12 12 HOH HOH A . 
C 3 HOH 6  13 13 HOH HOH A . 
C 3 HOH 7  14 14 HOH HOH A . 
C 3 HOH 8  15 15 HOH HOH A . 
C 3 HOH 9  16 16 HOH HOH A . 
C 3 HOH 10 17 17 HOH HOH A . 
C 3 HOH 11 18 18 HOH HOH A . 
C 3 HOH 12 19 19 HOH HOH A . 
C 3 HOH 13 20 20 HOH HOH A . 
C 3 HOH 14 21 21 HOH HOH A . 
C 3 HOH 15 22 22 HOH HOH A . 
C 3 HOH 16 23 23 HOH HOH A . 
C 3 HOH 17 24 24 HOH HOH A . 
C 3 HOH 18 25 25 HOH HOH A . 
C 3 HOH 19 26 26 HOH HOH A . 
C 3 HOH 20 27 27 HOH HOH A . 
C 3 HOH 21 28 28 HOH HOH A . 
C 3 HOH 22 29 29 HOH HOH A . 
C 3 HOH 23 30 30 HOH HOH A . 
C 3 HOH 24 31 31 HOH HOH A . 
C 3 HOH 25 32 32 HOH HOH A . 
C 3 HOH 26 33 33 HOH HOH A . 
C 3 HOH 27 34 34 HOH HOH A . 
C 3 HOH 28 35 35 HOH HOH A . 
C 3 HOH 29 36 36 HOH HOH A . 
C 3 HOH 30 37 37 HOH HOH A . 
C 3 HOH 31 38 38 HOH HOH A . 
C 3 HOH 32 39 39 HOH HOH A . 
C 3 HOH 33 40 40 HOH HOH A . 
C 3 HOH 34 41 41 HOH HOH A . 
C 3 HOH 35 42 42 HOH HOH A . 
C 3 HOH 36 43 43 HOH HOH A . 
C 3 HOH 37 44 44 HOH HOH A . 
C 3 HOH 38 45 45 HOH HOH A . 
C 3 HOH 39 46 46 HOH HOH A . 
C 3 HOH 40 47 47 HOH HOH A . 
C 3 HOH 41 48 48 HOH HOH A . 
C 3 HOH 42 49 49 HOH HOH A . 
C 3 HOH 43 50 50 HOH HOH A . 
C 3 HOH 44 51 51 HOH HOH A . 
C 3 HOH 45 52 52 HOH HOH A . 
C 3 HOH 46 53 53 HOH HOH A . 
C 3 HOH 47 54 54 HOH HOH A . 
# 
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 "O3'" A DT 3 ? ? "C3'" A DT 3 ? ? -0.060 
2 1 P     A DG 6 ? ? "O5'" A DG 6 ? ? 0.070  
# 
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 C2    A DC 1 ? ? N3    A DC 1 ? ? C4    A DC 1 ? ? 3.3  
2  1 "C3'" A DG 2 ? ? "C2'" A DG 2 ? ? "C1'" A DG 2 ? ? -6.7 
3  1 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9    A DG 2 ? ? 7.0  
4  1 "C3'" A DC 1 ? ? "O3'" A DC 1 ? ? P     A DG 2 ? ? 16.8 
5  1 "O5'" A DT 3 ? ? "C5'" A DT 3 ? ? "C4'" A DT 3 ? ? -8.1 
6  1 "C1'" A DT 3 ? ? "O4'" A DT 3 ? ? "C4'" A DT 3 ? ? -6.5 
7  1 C2    A DT 3 ? ? N3    A DT 3 ? ? C4    A DT 3 ? ? -6.0 
8  1 N3    A DT 3 ? ? C4    A DT 3 ? ? C5    A DT 3 ? ? 5.4  
9  1 N3    A DT 3 ? ? C4    A DT 3 ? ? O4    A DT 3 ? ? -6.0 
10 1 "C3'" A DG 2 ? ? "O3'" A DG 2 ? ? P     A DT 3 ? ? 15.7 
11 1 C6    A DA 4 ? ? N1    A DA 4 ? ? C2    A DA 4 ? ? 4.9  
12 1 C5    A DA 4 ? ? C6    A DA 4 ? ? N1    A DA 4 ? ? -4.0 
13 1 "C3'" A DT 3 ? ? "O3'" A DT 3 ? ? P     A DA 4 ? ? 17.3 
14 1 "O5'" A DC 5 ? ? "C5'" A DC 5 ? ? "C4'" A DC 5 ? ? -7.2 
15 1 "C3'" A DC 5 ? ? "C2'" A DC 5 ? ? "C1'" A DC 5 ? ? -5.1 
16 1 "O4'" A DC 5 ? ? "C1'" A DC 5 ? ? "C2'" A DC 5 ? ? -6.1 
17 1 "O4'" A DC 5 ? ? "C1'" A DC 5 ? ? N1    A DC 5 ? ? 6.5  
18 1 "O5'" A DG 6 ? ? P     A DG 6 ? ? OP1   A DG 6 ? ? 8.1  
19 1 C6    A DG 6 ? ? N1    A DG 6 ? ? C2    A DG 6 ? ? -4.5 
20 1 C5    A DG 6 ? ? C6    A DG 6 ? ? N1    A DG 6 ? ? 3.7  
21 1 C5    A DG 6 ? ? C6    A DG 6 ? ? O6    A DG 6 ? ? -3.8 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 "3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN" DMM 
3 water                                                  HOH 
# 
