data_1Z7I
# 
_entry.id   1Z7I 
# 
_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  1Z7I       
NDB  AD0045     
RCSB RCSB032395 
# 
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 2005-04-05 2005-03-24 ? 1Z7I 0 
2 2008-09-30 ?          ? 1Z7I 1 
3 2009-02-24 ?          ? 1Z7I 1 
# 
loop_
_database_PDB_rev_record.rev_num 
_database_PDB_rev_record.type 
_database_PDB_rev_record.details 
2 JRNL  ? 
3 VERSN ? 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.db_id 
_pdbx_database_related.details 
_pdbx_database_related.content_type 
PDB 1DNS . unspecified 
PDB 1D78 . unspecified 
PDB 1D79 . unspecified 
# 
_pdbx_database_status.status_code      REL 
_pdbx_database_status.entry_id         1Z7I 
_pdbx_database_status.deposit_site     RCSB 
_pdbx_database_status.process_site     RCSB 
_pdbx_database_status.status_code_sf   REL 
_pdbx_database_status.status_code_mr   ? 
_pdbx_database_status.SG_entry         ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Huang, Z.'    1 
'Carrasco, N.' 2 
'Jiang, J.'    3 
# 
_citation.id                        primary 
_citation.title                     'Selenium derivatization of nucleic acids for crystallography.' 
_citation.journal_abbrev            'Nucleic Acids Res.' 
_citation.journal_volume            35 
_citation.page_first                477 
_citation.page_last                 485 
_citation.year                      2007 
_citation.journal_id_ASTM           NARHAD 
_citation.country                   UK 
_citation.journal_id_ISSN           0305-1048 
_citation.journal_id_CSD            0389 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   17169989 
_citation.pdbx_database_id_DOI      10.1093/nar/gkl1070 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Jiang, J.'    1 
primary 'Sheng, J.'    2 
primary 'Carrasco, N.' 3 
primary 'Huang, Z.'    4 
# 
_cell.entry_id           1Z7I 
_cell.length_a           42.076 
_cell.length_b           42.076 
_cell.length_c           23.935 
_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                         1Z7I 
_symmetry.space_group_name_H-M             'P 43 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                ? 
_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 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.pdbx_ec 
1 polymer     syn "5'-D(*GP*(UMS)P*GP*TP*AP*CP*AP*C)-3'" 2505.597 1  ? ? 
;2'-Selenium A-DNA DUPLEX
;
? 
2 non-polymer syn SPERMINE                               202.342  1  ? ? ?                          ? 
3 water       nat water                                  18.015   44 ? ? ?                          ? 
# 
loop_
_entity_keywords.entity_id 
_entity_keywords.text 
1 ? 
2 ? 
3 ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           polydeoxyribonucleotide 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       '(DG)(UMS)(DG)(DT)(DA)(DC)(DA)(DC)' 
_entity_poly.pdbx_seq_one_letter_code_can   GUGTACAC 
_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 DG  n 
1 2 UMS n 
1 3 DG  n 
1 4 DT  n 
1 5 DA  n 
1 6 DC  n 
1 7 DA  n 
1 8 DC  n 
# 
_pdbx_entity_src_syn.entity_id              1 
_pdbx_entity_src_syn.organism_scientific    ? 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       ? 
_pdbx_entity_src_syn.details                'Solid Phase Synthesis via Phosphoramidite Chemistry' 
# 
_struct_ref.id                  1 
_struct_ref.entity_id           1 
_struct_ref.db_name             PDB 
_struct_ref.db_code             1Z7I 
_struct_ref.pdbx_db_accession   1Z7I 
_struct_ref.biol_id             . 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1Z7I 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 8 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             1Z7I 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.db_align_end                  8 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       8 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
DG  'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE"            ? 'C10 H14 N5 O7 P'    347.224 
UMS 'DNA linking' n "2'-METHYLSELENYL-2'-DEOXYURIDINE-5'-PHOSPHATE" ? 'C10 H15 N2 O8 P SE' 401.171 
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 
DC  'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"             ? 'C9 H14 N3 O7 P'     307.199 
SPM NON-POLYMER   . SPERMINE                                        ? 'C10 H26 N4'         202.342 
HOH NON-POLYMER   . WATER                                           ? 'H2 O'               18.015  
# 
_exptl.entry_id          1Z7I 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      3.01 
_exptl_crystal.density_percent_sol   59 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.temp            298 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              6.0 
_exptl_crystal_grow.pdbx_details    
;10% v/v MPD, 40 mM Sodium Cacodylate (pH 6.0), 12 mM Spermine tetra-HCl, 80 mM Sodium Chloride, 20 mM Magnesium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
;
_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 MPD                  ? ? ? 
1 2  1 'Sodium Cacodylate'  ? ? ? 
1 3  1 'Spermine tetra-HCl' ? ? ? 
1 4  1 'Sodium Chloride'    ? ? ? 
1 5  1 'Magnesium Chloride' ? ? ? 
1 6  1 H2O                  ? ? ? 
1 7  2 MPD                  ? ? ? 
1 8  2 'Sodium Cacodylate'  ? ? ? 
1 9  2 'Sodium Chloride'    ? ? ? 
1 10 2 'Magnesium Chloride' ? ? ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           273 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               CCD 
_diffrn_detector.type                   'BRANDEIS - B4' 
_diffrn_detector.pdbx_collection_date   2004-02-13 
_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             MAD 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
loop_
_diffrn_radiation_wavelength.id 
_diffrn_radiation_wavelength.wavelength 
_diffrn_radiation_wavelength.wt 
1 0.979  1.0 
2 0.9794 1.0 
3 0.940  1.0 
4 0.920  1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'NSLS BEAMLINE X12C' 
_diffrn_source.pdbx_synchrotron_site       NSLS 
_diffrn_source.pdbx_synchrotron_beamline   X12C 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        '0.979, 0.9794, 0.940, 0.920' 
# 
_reflns.entry_id                     1Z7I 
_reflns.observed_criterion_sigma_I   0 
_reflns.observed_criterion_sigma_F   0 
_reflns.d_resolution_low             50 
_reflns.d_resolution_high            1.28 
_reflns.number_obs                   6029 
_reflns.number_all                   6325 
_reflns.percent_possible_obs         95.3 
_reflns.pdbx_Rmerge_I_obs            0.08 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        14.8 
_reflns.B_iso_Wilson_estimate        14.9 
_reflns.pdbx_redundancy              12.4 
_reflns.R_free_details               ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_reflns_shell.d_res_high             1.28 
_reflns_shell.d_res_low              1.30 
_reflns_shell.percent_possible_all   70 
_reflns_shell.Rmerge_I_obs           ? 
_reflns_shell.pdbx_Rsym_value        ? 
_reflns_shell.meanI_over_sigI_obs    ? 
_reflns_shell.pdbx_redundancy        ? 
_reflns_shell.percent_possible_obs   ? 
_reflns_shell.number_unique_all      ? 
_reflns_shell.number_measured_all    ? 
_reflns_shell.number_measured_obs    ? 
_reflns_shell.number_unique_obs      ? 
_reflns_shell.pdbx_chi_squared       ? 
_reflns_shell.pdbx_ordinal           1 
_reflns_shell.pdbx_diffrn_id         1 
# 
_computing.entry_id                           1Z7I 
_computing.pdbx_data_reduction_ii             CBASS 
_computing.pdbx_data_reduction_ds             SCALEPACK 
_computing.data_collection                    ? 
_computing.structure_solution                 CNS 
_computing.structure_refinement               'CNS 1.1' 
_computing.pdbx_structure_refinement_method   ? 
# 
_refine.entry_id                               1Z7I 
_refine.ls_number_reflns_obs                   5275 
_refine.ls_number_reflns_all                   5901 
_refine.pdbx_ls_sigma_I                        ? 
_refine.pdbx_ls_sigma_F                        2.0 
_refine.pdbx_data_cutoff_high_absF             450767.65 
_refine.pdbx_data_cutoff_low_absF              0.000000 
_refine.pdbx_data_cutoff_high_rms_absF         ? 
_refine.ls_d_res_low                           20.81 
_refine.ls_d_res_high                          1.28 
_refine.ls_percent_reflns_obs                  89.3 
_refine.ls_R_factor_obs                        0.177 
_refine.ls_R_factor_all                        0.182 
_refine.ls_R_factor_R_work                     0.177 
_refine.ls_R_factor_R_free                     0.2 
_refine.ls_R_factor_R_free_error               0.008 
_refine.ls_R_factor_R_free_error_details       ? 
_refine.ls_percent_reflns_R_free               11.0 
_refine.ls_number_reflns_R_free                581 
_refine.ls_number_parameters                   ? 
_refine.ls_number_restraints                   ? 
_refine.occupancy_min                          ? 
_refine.occupancy_max                          ? 
_refine.correlation_coeff_Fo_to_Fc             ? 
_refine.correlation_coeff_Fo_to_Fc_free        ? 
_refine.B_iso_mean                             15.0 
_refine.aniso_B[1][1]                          0.70 
_refine.aniso_B[2][2]                          0.70 
_refine.aniso_B[3][3]                          -1.41 
_refine.aniso_B[1][2]                          0.00 
_refine.aniso_B[1][3]                          0.00 
_refine.aniso_B[2][3]                          0.00 
_refine.solvent_model_details                  'FLAT MODEL' 
_refine.solvent_model_param_ksol               0.3 
_refine.solvent_model_param_bsol               22.2222 
_refine.pdbx_solvent_vdw_probe_radii           ? 
_refine.pdbx_solvent_ion_probe_radii           ? 
_refine.pdbx_solvent_shrinkage_radii           ? 
_refine.pdbx_ls_cross_valid_method             THROUGHOUT 
_refine.details                                ? 
_refine.pdbx_starting_model                    ? 
_refine.pdbx_method_to_determine_struct        'MAD, MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model           RESTRAINED 
_refine.pdbx_stereochemistry_target_values     dna-rna_ums.par 
_refine.pdbx_stereochem_target_val_spec_case   ? 
_refine.pdbx_R_Free_selection_details          RANDOM 
_refine.pdbx_overall_ESU_R_Free                ? 
_refine.ls_redundancy_reflns_obs               ? 
_refine.overall_SU_R_Cruickshank_DPI           ? 
_refine.overall_SU_R_free                      ? 
_refine.overall_SU_ML                          ? 
_refine.overall_SU_B                           ? 
_refine.pdbx_overall_ESU_R                     ? 
_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_refine_id                         'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                         1 
# 
_refine_analyze.entry_id                        1Z7I 
_refine_analyze.Luzzati_coordinate_error_obs    0.13 
_refine_analyze.Luzzati_sigma_a_obs             0.11 
_refine_analyze.Luzzati_d_res_low_obs           5.00 
_refine_analyze.Luzzati_coordinate_error_free   0.15 
_refine_analyze.Luzzati_sigma_a_free            0.10 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        0 
_refine_hist.pdbx_number_atoms_nucleic_acid   162 
_refine_hist.pdbx_number_atoms_ligand         3 
_refine_hist.number_atoms_solvent             44 
_refine_hist.number_atoms_total               209 
_refine_hist.d_res_high                       1.28 
_refine_hist.d_res_low                        20.81 
# 
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 
c_bond_d           0.012 ?    ? ? 'X-RAY DIFFRACTION' 
c_angle_deg        1.8   ?    ? ? 'X-RAY DIFFRACTION' 
c_dihedral_angle_d 33.1  ?    ? ? 'X-RAY DIFFRACTION' 
c_improper_angle_d 2.07  ?    ? ? 'X-RAY DIFFRACTION' 
c_mcbond_it        1.23  1.50 ? ? 'X-RAY DIFFRACTION' 
c_mcangle_it       1.50  2.00 ? ? 'X-RAY DIFFRACTION' 
c_scbond_it        1.28  2.00 ? ? 'X-RAY DIFFRACTION' 
c_scangle_it       1.92  2.50 ? ? 'X-RAY DIFFRACTION' 
# 
_refine_ls_shell.pdbx_total_number_of_bins_used   6 
_refine_ls_shell.d_res_high                       1.28 
_refine_ls_shell.d_res_low                        1.36 
_refine_ls_shell.number_reflns_R_work             552 
_refine_ls_shell.R_factor_R_work                  0.237 
_refine_ls_shell.percent_reflns_obs               66.6 
_refine_ls_shell.R_factor_R_free                  0.231 
_refine_ls_shell.R_factor_R_free_error            0.026 
_refine_ls_shell.percent_reflns_R_free            12.8 
_refine_ls_shell.number_reflns_R_free             81 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
loop_
_pdbx_xplor_file.serial_no 
_pdbx_xplor_file.param_file 
_pdbx_xplor_file.topol_file 
_pdbx_xplor_file.pdbx_refine_id 
1 PROTEIN_REP.PARAM PROTEIN.TOP 'X-RAY DIFFRACTION' 
2 WATER_REP.PARAM   DNA-RNA.TOP 'X-RAY DIFFRACTION' 
3 ION.PARAM         WATER.TOP   'X-RAY DIFFRACTION' 
4 DNA-RNA_UMS.PAR   ION.TOP     'X-RAY DIFFRACTION' 
5 CAC.PAR           UMS.TOP     'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  1Z7I 
_struct.title                     
;2'-Me-Se Derivitation of A-DNA Octamer G(UMSe)GTACAC
;
_struct.pdbx_descriptor           "5'-D(*GP*(UMS)P*GP*TP*AP*CP*AP*C)-3'" 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1Z7I 
_struct_keywords.pdbx_keywords   DNA 
_struct_keywords.text            
;2'-Methylseleno-uridine, Se-DNA, Selenium Derivatization, 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 
covale1  covale ? A UMS 2 "O3'" ? ? ? 1_555 A DG  3 P  ? ? A UMS 2 A DG  3 1_555 ? ? ? ? ? ? ?            1.583 ? 
covale2  covale ? A DG  1 "O3'" ? ? ? 1_555 A UMS 2 P  ? ? A DG  1 A UMS 2 1_555 ? ? ? ? ? ? ?            1.587 ? 
hydrog1  hydrog ? A DG  1 N1    ? ? ? 1_555 A DC  8 N3 ? ? A DG  1 A DC  8 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog2  hydrog ? A DG  1 N2    ? ? ? 1_555 A DC  8 O2 ? ? A DG  1 A DC  8 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog3  hydrog ? A DG  1 O6    ? ? ? 1_555 A DC  8 N4 ? ? A DG  1 A DC  8 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog4  hydrog ? A UMS 2 N3    ? ? ? 1_555 A DA  7 N1 ? ? A UMS 2 A DA  7 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog5  hydrog ? A UMS 2 O4    ? ? ? 1_555 A DA  7 N6 ? ? A UMS 2 A DA  7 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog6  hydrog ? A DG  3 N1    ? ? ? 1_555 A DC  6 N3 ? ? A DG  3 A DC  6 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog7  hydrog ? A DG  3 N2    ? ? ? 1_555 A DC  6 O2 ? ? A DG  3 A DC  6 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog8  hydrog ? A DG  3 O6    ? ? ? 1_555 A DC  6 N4 ? ? A DG  3 A DC  6 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog9  hydrog ? A DT  4 N3    ? ? ? 1_555 A DA  5 N1 ? ? A DT  4 A DA  5 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog10 hydrog ? A DT  4 O4    ? ? ? 1_555 A DA  5 N6 ? ? A DT  4 A DA  5 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog11 hydrog ? A DA  5 N1    ? ? ? 1_555 A DT  4 N3 ? ? A DA  5 A DT  4 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog12 hydrog ? A DA  5 N6    ? ? ? 1_555 A DT  4 O4 ? ? A DA  5 A DT  4 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog13 hydrog ? A DC  6 N3    ? ? ? 1_555 A DG  3 N1 ? ? A DC  6 A DG  3 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog14 hydrog ? A DC  6 N4    ? ? ? 1_555 A DG  3 O6 ? ? A DC  6 A DG  3 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog15 hydrog ? A DC  6 O2    ? ? ? 1_555 A DG  3 N2 ? ? A DC  6 A DG  3 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog16 hydrog ? A DA  7 N1    ? ? ? 1_555 A UMS 2 N3 ? ? A DA  7 A UMS 2 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog17 hydrog ? A DA  7 N6    ? ? ? 1_555 A UMS 2 O4 ? ? A DA  7 A UMS 2 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog18 hydrog ? A DC  8 N3    ? ? ? 1_555 A DG  1 N1 ? ? A DC  8 A DG  1 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog19 hydrog ? A DC  8 N4    ? ? ? 1_555 A DG  1 O6 ? ? A DC  8 A DG  1 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog20 hydrog ? A DC  8 O2    ? ? ? 1_555 A DG  1 N2 ? ? A DC  8 A DG  1 7_555 ? ? ? ? ? ? WATSON-CRICK ?     ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ?                                                                                                             ? 
hydrog 'For hydrogen bonding between nucleic acid bases, donor to acceptor distance of 2.2 -3.5 Angstroms was used.' ? 
# 
_struct_site.id                   AC1 
_struct_site.details              'BINDING SITE FOR RESIDUE SPM A 50' 
_struct_site.pdbx_evidence_code   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 5 DC  A 6 ? DC  A 6  . . 1_555 ? 
2 AC1 5 DA  A 7 ? DA  A 7  . . 1_555 ? 
3 AC1 5 HOH C . ? HOH A 52 . . 3_644 ? 
4 AC1 5 HOH C . ? HOH A 61 . . 7_555 ? 
5 AC1 5 HOH C . ? HOH A 78 . . 1_555 ? 
# 
_database_PDB_matrix.entry_id          1Z7I 
_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                    1Z7I 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.023767 
_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]   0.023767 
_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]   0.041780 
_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  
SE 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.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'"  . DG  A 1 1 ? 19.215 28.381 5.426   1.00 13.26 ? ? ? ? ? ? 1  DG  A "O5'"  1 
ATOM   2   C  "C5'"  . DG  A 1 1 ? 17.807 28.299 5.255   1.00 12.18 ? ? ? ? ? ? 1  DG  A "C5'"  1 
ATOM   3   C  "C4'"  . DG  A 1 1 ? 17.219 29.433 4.439   1.00 11.12 ? ? ? ? ? ? 1  DG  A "C4'"  1 
ATOM   4   O  "O4'"  . DG  A 1 1 ? 17.392 30.625 5.246   1.00 11.04 ? ? ? ? ? ? 1  DG  A "O4'"  1 
ATOM   5   C  "C3'"  . DG  A 1 1 ? 17.920 29.771 3.131   1.00 10.74 ? ? ? ? ? ? 1  DG  A "C3'"  1 
ATOM   6   O  "O3'"  . DG  A 1 1 ? 17.424 29.032 2.052   1.00 11.07 ? ? ? ? ? ? 1  DG  A "O3'"  1 
ATOM   7   C  "C2'"  . DG  A 1 1 ? 17.655 31.267 2.985   1.00 10.32 ? ? ? ? ? ? 1  DG  A "C2'"  1 
ATOM   8   C  "C1'"  . DG  A 1 1 ? 17.584 31.782 4.408   1.00 10.12 ? ? ? ? ? ? 1  DG  A "C1'"  1 
ATOM   9   N  N9     . DG  A 1 1 ? 18.950 32.207 4.784   1.00 10.72 ? ? ? ? ? ? 1  DG  A N9     1 
ATOM   10  C  C8     . DG  A 1 1 ? 19.940 31.477 5.405   1.00 10.64 ? ? ? ? ? ? 1  DG  A C8     1 
ATOM   11  N  N7     . DG  A 1 1 ? 21.069 32.136 5.521   1.00 11.91 ? ? ? ? ? ? 1  DG  A N7     1 
ATOM   12  C  C5     . DG  A 1 1 ? 20.806 33.386 4.966   1.00 10.06 ? ? ? ? ? ? 1  DG  A C5     1 
ATOM   13  C  C6     . DG  A 1 1 ? 21.650 34.557 4.824   1.00 11.10 ? ? ? ? ? ? 1  DG  A C6     1 
ATOM   14  O  O6     . DG  A 1 1 ? 22.833 34.716 5.206   1.00 12.32 ? ? ? ? ? ? 1  DG  A O6     1 
ATOM   15  N  N1     . DG  A 1 1 ? 20.979 35.597 4.201   1.00 11.97 ? ? ? ? ? ? 1  DG  A N1     1 
ATOM   16  C  C2     . DG  A 1 1 ? 19.671 35.555 3.782   1.00 12.61 ? ? ? ? ? ? 1  DG  A C2     1 
ATOM   17  N  N2     . DG  A 1 1 ? 19.204 36.667 3.221   1.00 13.73 ? ? ? ? ? ? 1  DG  A N2     1 
ATOM   18  N  N3     . DG  A 1 1 ? 18.877 34.499 3.908   1.00 11.55 ? ? ? ? ? ? 1  DG  A N3     1 
ATOM   19  C  C4     . DG  A 1 1 ? 19.507 33.457 4.507   1.00 10.74 ? ? ? ? ? ? 1  DG  A C4     1 
ATOM   20  P  P      . UMS A 1 2 ? 18.400 28.595 0.880   1.00 12.03 ? ? ? ? ? ? 2  UMS A P      1 
ATOM   21  O  OP1    . UMS A 1 2 ? 17.605 27.715 -0.003  1.00 12.93 ? ? ? ? ? ? 2  UMS A OP1    1 
ATOM   22  O  OP2    . UMS A 1 2 ? 19.691 28.137 1.414   1.00 14.32 ? ? ? ? ? ? 2  UMS A OP2    1 
ATOM   23  O  "O5'"  . UMS A 1 2 ? 18.713 29.917 0.118   1.00 11.01 ? ? ? ? ? ? 2  UMS A "O5'"  1 
ATOM   24  C  "C5'"  . UMS A 1 2 ? 17.674 30.623 -0.536  1.00 11.59 ? ? ? ? ? ? 2  UMS A "C5'"  1 
ATOM   25  C  "C4'"  . UMS A 1 2 ? 18.166 31.944 -1.081  1.00 10.88 ? ? ? ? ? ? 2  UMS A "C4'"  1 
ATOM   26  O  "O4'"  . UMS A 1 2 ? 18.462 32.777 0.065   1.00 11.18 ? ? ? ? ? ? 2  UMS A "O4'"  1 
ATOM   27  C  "C3'"  . UMS A 1 2 ? 19.483 31.954 -1.828  1.00 12.98 ? ? ? ? ? ? 2  UMS A "C3'"  1 
ATOM   28  O  "O3'"  . UMS A 1 2 ? 19.357 31.648 -3.141  1.00 14.63 ? ? ? ? ? ? 2  UMS A "O3'"  1 
ATOM   29  C  "C2'"  . UMS A 1 2 ? 19.918 33.399 -1.704  1.00 12.67 ? ? ? ? ? ? 2  UMS A "C2'"  1 
ATOM   30  SE "SE2'" . UMS A 1 2 ? 18.649 34.619 -2.869  1.00 15.41 ? ? ? ? ? ? 2  UMS A "SE2'" 1 
ATOM   31  C  "C1'"  . UMS A 1 2 ? 19.457 33.751 -0.303  1.00 12.03 ? ? ? ? ? ? 2  UMS A "C1'"  1 
ATOM   32  C  "CA'"  . UMS A 1 2 ? 19.571 36.223 -2.662  1.00 15.97 ? ? ? ? ? ? 2  UMS A "CA'"  1 
ATOM   33  N  N1     . UMS A 1 2 ? 20.636 33.399 0.595   1.00 11.49 ? ? ? ? ? ? 2  UMS A N1     1 
ATOM   34  C  C2     . UMS A 1 2 ? 21.581 34.405 0.724   1.00 11.16 ? ? ? ? ? ? 2  UMS A C2     1 
ATOM   35  O  O2     . UMS A 1 2 ? 21.487 35.472 0.141   1.00 13.11 ? ? ? ? ? ? 2  UMS A O2     1 
ATOM   36  N  N3     . UMS A 1 2 ? 22.652 34.119 1.531   1.00 10.81 ? ? ? ? ? ? 2  UMS A N3     1 
ATOM   37  C  C4     . UMS A 1 2 ? 22.903 32.936 2.179   1.00 10.10 ? ? ? ? ? ? 2  UMS A C4     1 
ATOM   38  O  O4     . UMS A 1 2 ? 23.922 32.811 2.856   1.00 11.76 ? ? ? ? ? ? 2  UMS A O4     1 
ATOM   39  C  C5     . UMS A 1 2 ? 21.895 31.903 1.990   1.00 10.90 ? ? ? ? ? ? 2  UMS A C5     1 
ATOM   40  C  C6     . UMS A 1 2 ? 20.810 32.185 1.233   1.00 11.43 ? ? ? ? ? ? 2  UMS A C6     1 
ATOM   41  P  P      . DG  A 1 3 ? 20.529 30.840 -3.834  1.00 17.00 ? ? ? ? ? ? 3  DG  A P      1 
ATOM   42  O  OP1    . DG  A 1 3 ? 19.778 30.405 -4.987  1.00 15.77 ? ? ? ? ? ? 3  DG  A OP1    1 
ATOM   43  O  OP2    . DG  A 1 3 ? 21.171 29.856 -2.922  1.00 16.22 ? ? ? ? ? ? 3  DG  A OP2    1 
ATOM   44  O  "O5'"  . DG  A 1 3 ? 21.616 31.892 -4.178  1.00 15.91 ? ? ? ? ? ? 3  DG  A "O5'"  1 
ATOM   45  C  "C5'"  . DG  A 1 3 ? 21.280 32.980 -5.004  1.00 15.67 ? ? ? ? ? ? 3  DG  A "C5'"  1 
ATOM   46  C  "C4'"  . DG  A 1 3 ? 22.334 34.050 -4.926  1.00 14.26 ? ? ? ? ? ? 3  DG  A "C4'"  1 
ATOM   47  O  "O4'"  . DG  A 1 3 ? 22.373 34.338 -3.502  1.00 15.44 ? ? ? ? ? ? 3  DG  A "O4'"  1 
ATOM   48  C  "C3'"  . DG  A 1 3 ? 23.770 33.666 -5.271  1.00 14.21 ? ? ? ? ? ? 3  DG  A "C3'"  1 
ATOM   49  O  "O3'"  . DG  A 1 3 ? 24.031 33.926 -6.620  1.00 13.71 ? ? ? ? ? ? 3  DG  A "O3'"  1 
ATOM   50  C  "C2'"  . DG  A 1 3 ? 24.562 34.610 -4.379  1.00 14.56 ? ? ? ? ? ? 3  DG  A "C2'"  1 
ATOM   51  C  "C1'"  . DG  A 1 3 ? 23.626 34.950 -3.216  1.00 12.97 ? ? ? ? ? ? 3  DG  A "C1'"  1 
ATOM   52  N  N9     . DG  A 1 3 ? 24.128 34.129 -2.100  1.00 11.07 ? ? ? ? ? ? 3  DG  A N9     1 
ATOM   53  C  C8     . DG  A 1 3 ? 23.743 32.894 -1.620  1.00 11.33 ? ? ? ? ? ? 3  DG  A C8     1 
ATOM   54  N  N7     . DG  A 1 3 ? 24.489 32.474 -0.621  1.00 11.54 ? ? ? ? ? ? 3  DG  A N7     1 
ATOM   55  C  C5     . DG  A 1 3 ? 25.424 33.500 -0.429  1.00 8.93  ? ? ? ? ? ? 3  DG  A C5     1 
ATOM   56  C  C6     . DG  A 1 3 ? 26.517 33.643 0.529   1.00 8.41  ? ? ? ? ? ? 3  DG  A C6     1 
ATOM   57  O  O6     . DG  A 1 3 ? 26.871 32.857 1.426   1.00 9.75  ? ? ? ? ? ? 3  DG  A O6     1 
ATOM   58  N  N1     . DG  A 1 3 ? 27.204 34.837 0.343   1.00 9.22  ? ? ? ? ? ? 3  DG  A N1     1 
ATOM   59  C  C2     . DG  A 1 3 ? 26.912 35.775 -0.605  1.00 8.21  ? ? ? ? ? ? 3  DG  A C2     1 
ATOM   60  N  N2     . DG  A 1 3 ? 27.698 36.862 -0.649  1.00 9.73  ? ? ? ? ? ? 3  DG  A N2     1 
ATOM   61  N  N3     . DG  A 1 3 ? 25.918 35.667 -1.467  1.00 10.39 ? ? ? ? ? ? 3  DG  A N3     1 
ATOM   62  C  C4     . DG  A 1 3 ? 25.220 34.515 -1.323  1.00 9.99  ? ? ? ? ? ? 3  DG  A C4     1 
ATOM   63  P  P      . DT  A 1 4 ? 25.369 33.415 -7.286  1.00 14.35 ? ? ? ? ? ? 4  DT  A P      1 
ATOM   64  O  OP1    . DT  A 1 4 ? 25.171 33.738 -8.732  1.00 17.25 ? ? ? ? ? ? 4  DT  A OP1    1 
ATOM   65  O  OP2    . DT  A 1 4 ? 25.688 32.094 -6.908  1.00 14.62 ? ? ? ? ? ? 4  DT  A OP2    1 
ATOM   66  O  "O5'"  . DT  A 1 4 ? 26.511 34.310 -6.718  1.00 12.35 ? ? ? ? ? ? 4  DT  A "O5'"  1 
ATOM   67  C  "C5'"  . DT  A 1 4 ? 26.540 35.677 -7.033  1.00 13.07 ? ? ? ? ? ? 4  DT  A "C5'"  1 
ATOM   68  C  "C4'"  . DT  A 1 4 ? 27.772 36.333 -6.460  1.00 12.87 ? ? ? ? ? ? 4  DT  A "C4'"  1 
ATOM   69  O  "O4'"  . DT  A 1 4 ? 27.625 36.223 -5.019  1.00 12.10 ? ? ? ? ? ? 4  DT  A "O4'"  1 
ATOM   70  C  "C3'"  . DT  A 1 4 ? 29.080 35.625 -6.774  1.00 12.35 ? ? ? ? ? ? 4  DT  A "C3'"  1 
ATOM   71  O  "O3'"  . DT  A 1 4 ? 29.654 36.162 -7.930  1.00 12.99 ? ? ? ? ? ? 4  DT  A "O3'"  1 
ATOM   72  C  "C2'"  . DT  A 1 4 ? 29.928 35.921 -5.543  1.00 12.66 ? ? ? ? ? ? 4  DT  A "C2'"  1 
ATOM   73  C  "C1'"  . DT  A 1 4 ? 28.930 36.180 -4.425  1.00 11.55 ? ? ? ? ? ? 4  DT  A "C1'"  1 
ATOM   74  N  N1     . DT  A 1 4 ? 28.859 34.908 -3.597  1.00 10.98 ? ? ? ? ? ? 4  DT  A N1     1 
ATOM   75  C  C2     . DT  A 1 4 ? 29.749 34.822 -2.550  1.00 9.55  ? ? ? ? ? ? 4  DT  A C2     1 
ATOM   76  O  O2     . DT  A 1 4 ? 30.598 35.665 -2.345  1.00 9.79  ? ? ? ? ? ? 4  DT  A O2     1 
ATOM   77  N  N3     . DT  A 1 4 ? 29.634 33.699 -1.768  1.00 7.93  ? ? ? ? ? ? 4  DT  A N3     1 
ATOM   78  C  C4     . DT  A 1 4 ? 28.747 32.652 -1.955  1.00 8.42  ? ? ? ? ? ? 4  DT  A C4     1 
ATOM   79  O  O4     . DT  A 1 4 ? 28.721 31.728 -1.158  1.00 9.50  ? ? ? ? ? ? 4  DT  A O4     1 
ATOM   80  C  C5     . DT  A 1 4 ? 27.894 32.771 -3.115  1.00 9.60  ? ? ? ? ? ? 4  DT  A C5     1 
ATOM   81  C  C7     . DT  A 1 4 ? 26.944 31.660 -3.439  1.00 12.34 ? ? ? ? ? ? 4  DT  A C7     1 
ATOM   82  C  C6     . DT  A 1 4 ? 27.982 33.875 -3.858  1.00 10.69 ? ? ? ? ? ? 4  DT  A C6     1 
ATOM   83  P  P      . DA  A 1 5 ? 30.801 35.389 -8.667  1.00 14.38 ? ? ? ? ? ? 5  DA  A P      1 
ATOM   84  O  OP1    . DA  A 1 5 ? 30.925 36.075 -9.995  1.00 16.99 ? ? ? ? ? ? 5  DA  A OP1    1 
ATOM   85  O  OP2    . DA  A 1 5 ? 30.632 33.928 -8.620  1.00 16.77 ? ? ? ? ? ? 5  DA  A OP2    1 
ATOM   86  O  "O5'"  . DA  A 1 5 ? 32.022 35.754 -7.784  1.00 12.00 ? ? ? ? ? ? 5  DA  A "O5'"  1 
ATOM   87  C  "C5'"  . DA  A 1 5 ? 33.043 34.818 -7.507  1.00 12.07 ? ? ? ? ? ? 5  DA  A "C5'"  1 
ATOM   88  C  "C4'"  . DA  A 1 5 ? 33.964 35.414 -6.475  1.00 9.45  ? ? ? ? ? ? 5  DA  A "C4'"  1 
ATOM   89  O  "O4'"  . DA  A 1 5 ? 33.155 35.484 -5.265  1.00 10.56 ? ? ? ? ? ? 5  DA  A "O4'"  1 
ATOM   90  C  "C3'"  . DA  A 1 5 ? 35.145 34.529 -6.121  1.00 11.07 ? ? ? ? ? ? 5  DA  A "C3'"  1 
ATOM   91  O  "O3'"  . DA  A 1 5 ? 36.286 34.910 -6.822  1.00 11.08 ? ? ? ? ? ? 5  DA  A "O3'"  1 
ATOM   92  C  "C2'"  . DA  A 1 5 ? 35.297 34.711 -4.625  1.00 10.93 ? ? ? ? ? ? 5  DA  A "C2'"  1 
ATOM   93  C  "C1'"  . DA  A 1 5 ? 33.874 34.963 -4.154  1.00 9.15  ? ? ? ? ? ? 5  DA  A "C1'"  1 
ATOM   94  N  N9     . DA  A 1 5 ? 33.210 33.710 -3.736  1.00 7.78  ? ? ? ? ? ? 5  DA  A N9     1 
ATOM   95  C  C8     . DA  A 1 5 ? 32.159 33.066 -4.363  1.00 8.36  ? ? ? ? ? ? 5  DA  A C8     1 
ATOM   96  N  N7     . DA  A 1 5 ? 31.712 32.027 -3.694  1.00 8.69  ? ? ? ? ? ? 5  DA  A N7     1 
ATOM   97  C  C5     . DA  A 1 5 ? 32.533 31.964 -2.577  1.00 7.89  ? ? ? ? ? ? 5  DA  A C5     1 
ATOM   98  C  C6     . DA  A 1 5 ? 32.575 31.100 -1.463  1.00 7.35  ? ? ? ? ? ? 5  DA  A C6     1 
ATOM   99  N  N6     . DA  A 1 5 ? 31.724 30.087 -1.298  1.00 8.31  ? ? ? ? ? ? 5  DA  A N6     1 
ATOM   100 N  N1     . DA  A 1 5 ? 33.519 31.314 -0.522  1.00 8.07  ? ? ? ? ? ? 5  DA  A N1     1 
ATOM   101 C  C2     . DA  A 1 5 ? 34.369 32.325 -0.703  1.00 8.06  ? ? ? ? ? ? 5  DA  A C2     1 
ATOM   102 N  N3     . DA  A 1 5 ? 34.435 33.209 -1.696  1.00 7.56  ? ? ? ? ? ? 5  DA  A N3     1 
ATOM   103 C  C4     . DA  A 1 5 ? 33.478 32.974 -2.605  1.00 7.17  ? ? ? ? ? ? 5  DA  A C4     1 
ATOM   104 P  P      . DC  A 1 6 ? 37.252 33.788 -7.387  1.00 12.15 ? ? ? ? ? ? 6  DC  A P      1 
ATOM   105 O  OP1    . DC  A 1 6 ? 38.306 34.500 -8.165  1.00 15.19 ? ? ? ? ? ? 6  DC  A OP1    1 
ATOM   106 O  OP2    . DC  A 1 6 ? 36.512 32.691 -8.004  1.00 13.89 ? ? ? ? ? ? 6  DC  A OP2    1 
ATOM   107 O  "O5'"  . DC  A 1 6 ? 37.898 33.159 -6.118  1.00 10.71 ? ? ? ? ? ? 6  DC  A "O5'"  1 
ATOM   108 C  "C5'"  . DC  A 1 6 ? 38.735 33.945 -5.293  1.00 10.29 ? ? ? ? ? ? 6  DC  A "C5'"  1 
ATOM   109 C  "C4'"  . DC  A 1 6 ? 39.156 33.204 -4.050  1.00 10.84 ? ? ? ? ? ? 6  DC  A "C4'"  1 
ATOM   110 O  "O4'"  . DC  A 1 6 ? 37.963 33.069 -3.229  1.00 11.01 ? ? ? ? ? ? 6  DC  A "O4'"  1 
ATOM   111 C  "C3'"  . DC  A 1 6 ? 39.633 31.787 -4.250  1.00 11.23 ? ? ? ? ? ? 6  DC  A "C3'"  1 
ATOM   112 O  "O3'"  . DC  A 1 6 ? 40.984 31.710 -4.588  1.00 13.66 ? ? ? ? ? ? 6  DC  A "O3'"  1 
ATOM   113 C  "C2'"  . DC  A 1 6 ? 39.302 31.150 -2.909  1.00 11.90 ? ? ? ? ? ? 6  DC  A "C2'"  1 
ATOM   114 C  "C1'"  . DC  A 1 6 ? 38.021 31.853 -2.490  1.00 10.62 ? ? ? ? ? ? 6  DC  A "C1'"  1 
ATOM   115 N  N1     . DC  A 1 6 ? 36.868 31.012 -2.875  1.00 9.49  ? ? ? ? ? ? 6  DC  A N1     1 
ATOM   116 C  C2     . DC  A 1 6 ? 36.494 29.990 -2.002  1.00 8.85  ? ? ? ? ? ? 6  DC  A C2     1 
ATOM   117 O  O2     . DC  A 1 6 ? 37.195 29.804 -0.990  1.00 10.60 ? ? ? ? ? ? 6  DC  A O2     1 
ATOM   118 N  N3     . DC  A 1 6 ? 35.419 29.223 -2.286  1.00 8.82  ? ? ? ? ? ? 6  DC  A N3     1 
ATOM   119 C  C4     . DC  A 1 6 ? 34.741 29.418 -3.405  1.00 8.64  ? ? ? ? ? ? 6  DC  A C4     1 
ATOM   120 N  N4     . DC  A 1 6 ? 33.692 28.632 -3.642  1.00 9.21  ? ? ? ? ? ? 6  DC  A N4     1 
ATOM   121 C  C5     . DC  A 1 6 ? 35.109 30.430 -4.340  1.00 7.81  ? ? ? ? ? ? 6  DC  A C5     1 
ATOM   122 C  C6     . DC  A 1 6 ? 36.177 31.198 -4.046  1.00 8.77  ? ? ? ? ? ? 6  DC  A C6     1 
ATOM   123 P  P      . DA  A 1 7 ? 41.499 30.468 -5.406  1.00 15.12 ? ? ? ? ? ? 7  DA  A P      1 
ATOM   124 O  OP1    . DA  A 1 7 ? 42.871 30.820 -5.918  1.00 16.03 ? ? ? ? ? ? 7  DA  A OP1    1 
ATOM   125 O  OP2    . DA  A 1 7 ? 40.475 29.942 -6.356  1.00 15.74 ? ? ? ? ? ? 7  DA  A OP2    1 
ATOM   126 O  "O5'"  . DA  A 1 7 ? 41.622 29.360 -4.333  1.00 13.12 ? ? ? ? ? ? 7  DA  A "O5'"  1 
ATOM   127 C  "C5'"  . DA  A 1 7 ? 42.476 29.545 -3.209  1.00 12.78 ? ? ? ? ? ? 7  DA  A "C5'"  1 
ATOM   128 C  "C4'"  . DA  A 1 7 ? 42.453 28.341 -2.300  1.00 10.98 ? ? ? ? ? ? 7  DA  A "C4'"  1 
ATOM   129 O  "O4'"  . DA  A 1 7 ? 41.121 28.288 -1.727  1.00 10.96 ? ? ? ? ? ? 7  DA  A "O4'"  1 
ATOM   130 C  "C3'"  . DA  A 1 7 ? 42.628 27.013 -3.009  1.00 11.87 ? ? ? ? ? ? 7  DA  A "C3'"  1 
ATOM   131 O  "O3'"  . DA  A 1 7 ? 43.971 26.619 -2.991  1.00 13.09 ? ? ? ? ? ? 7  DA  A "O3'"  1 
ATOM   132 C  "C2'"  . DA  A 1 7 ? 41.748 26.051 -2.231  1.00 12.03 ? ? ? ? ? ? 7  DA  A "C2'"  1 
ATOM   133 C  "C1'"  . DA  A 1 7 ? 40.702 26.945 -1.581  1.00 9.29  ? ? ? ? ? ? 7  DA  A "C1'"  1 
ATOM   134 N  N9     . DA  A 1 7 ? 39.440 26.824 -2.307  1.00 9.66  ? ? ? ? ? ? 7  DA  A N9     1 
ATOM   135 C  C8     . DA  A 1 7 ? 39.019 27.548 -3.374  1.00 9.60  ? ? ? ? ? ? 7  DA  A C8     1 
ATOM   136 N  N7     . DA  A 1 7 ? 37.808 27.235 -3.786  1.00 9.23  ? ? ? ? ? ? 7  DA  A N7     1 
ATOM   137 C  C5     . DA  A 1 7 ? 37.422 26.222 -2.922  1.00 8.20  ? ? ? ? ? ? 7  DA  A C5     1 
ATOM   138 C  C6     . DA  A 1 7 ? 36.240 25.459 -2.801  1.00 8.45  ? ? ? ? ? ? 7  DA  A C6     1 
ATOM   139 N  N6     . DA  A 1 7 ? 35.160 25.630 -3.571  1.00 9.36  ? ? ? ? ? ? 7  DA  A N6     1 
ATOM   140 N  N1     . DA  A 1 7 ? 36.194 24.519 -1.853  1.00 10.28 ? ? ? ? ? ? 7  DA  A N1     1 
ATOM   141 C  C2     . DA  A 1 7 ? 37.256 24.356 -1.066  1.00 10.70 ? ? ? ? ? ? 7  DA  A C2     1 
ATOM   142 N  N3     . DA  A 1 7 ? 38.418 25.015 -1.071  1.00 9.51  ? ? ? ? ? ? 7  DA  A N3     1 
ATOM   143 C  C4     . DA  A 1 7 ? 38.427 25.947 -2.019  1.00 8.19  ? ? ? ? ? ? 7  DA  A C4     1 
ATOM   144 P  P      . DC  A 1 8 ? 44.520 25.708 -4.150  1.00 14.51 ? ? ? ? ? ? 8  DC  A P      1 
ATOM   145 O  OP1    . DC  A 1 8 ? 45.995 25.706 -3.946  1.00 16.73 ? ? ? ? ? ? 8  DC  A OP1    1 
ATOM   146 O  OP2    . DC  A 1 8 ? 43.954 26.123 -5.468  1.00 17.40 ? ? ? ? ? ? 8  DC  A OP2    1 
ATOM   147 O  "O5'"  . DC  A 1 8 ? 43.982 24.301 -3.806  1.00 13.67 ? ? ? ? ? ? 8  DC  A "O5'"  1 
ATOM   148 C  "C5'"  . DC  A 1 8 ? 44.328 23.666 -2.552  1.00 14.56 ? ? ? ? ? ? 8  DC  A "C5'"  1 
ATOM   149 C  "C4'"  . DC  A 1 8 ? 43.691 22.295 -2.420  1.00 14.71 ? ? ? ? ? ? 8  DC  A "C4'"  1 
ATOM   150 O  "O4'"  . DC  A 1 8 ? 42.255 22.501 -2.347  1.00 15.31 ? ? ? ? ? ? 8  DC  A "O4'"  1 
ATOM   151 C  "C3'"  . DC  A 1 8 ? 43.927 21.293 -3.554  1.00 16.29 ? ? ? ? ? ? 8  DC  A "C3'"  1 
ATOM   152 O  "O3'"  . DC  A 1 8 ? 44.035 19.987 -3.001  1.00 19.30 ? ? ? ? ? ? 8  DC  A "O3'"  1 
ATOM   153 C  "C2'"  . DC  A 1 8 ? 42.633 21.338 -4.347  1.00 16.94 ? ? ? ? ? ? 8  DC  A "C2'"  1 
ATOM   154 C  "C1'"  . DC  A 1 8 ? 41.592 21.661 -3.278  1.00 15.60 ? ? ? ? ? ? 8  DC  A "C1'"  1 
ATOM   155 N  N1     . DC  A 1 8 ? 40.422 22.397 -3.806  1.00 13.87 ? ? ? ? ? ? 8  DC  A N1     1 
ATOM   156 C  C2     . DC  A 1 8 ? 39.120 21.897 -3.581  1.00 12.87 ? ? ? ? ? ? 8  DC  A C2     1 
ATOM   157 O  O2     . DC  A 1 8 ? 38.968 20.934 -2.841  1.00 12.82 ? ? ? ? ? ? 8  DC  A O2     1 
ATOM   158 N  N3     . DC  A 1 8 ? 38.082 22.488 -4.181  1.00 10.86 ? ? ? ? ? ? 8  DC  A N3     1 
ATOM   159 C  C4     . DC  A 1 8 ? 38.268 23.541 -4.961  1.00 11.43 ? ? ? ? ? ? 8  DC  A C4     1 
ATOM   160 N  N4     . DC  A 1 8 ? 37.215 24.047 -5.600  1.00 11.47 ? ? ? ? ? ? 8  DC  A N4     1 
ATOM   161 C  C5     . DC  A 1 8 ? 39.557 24.121 -5.148  1.00 12.39 ? ? ? ? ? ? 8  DC  A C5     1 
ATOM   162 C  C6     . DC  A 1 8 ? 40.594 23.524 -4.553  1.00 13.45 ? ? ? ? ? ? 8  DC  A C6     1 
HETATM 163 N  N5     . SPM B 2 . ? 35.072 27.012 -6.428  1.00 21.77 ? ? ? ? ? ? 50 SPM A N5     1 
HETATM 164 C  C6     . SPM B 2 . ? 36.227 27.619 -6.051  1.00 24.43 ? ? ? ? ? ? 50 SPM A C6     1 
HETATM 165 C  C7     . SPM B 2 . ? 37.425 28.609 -6.278  1.00 22.53 ? ? ? ? ? ? 50 SPM A C7     1 
HETATM 166 O  O      . HOH C 3 . ? 35.899 35.624 -1.341  1.00 9.76  ? ? ? ? ? ? 51 HOH A O      1 
HETATM 167 O  O      . HOH C 3 . ? 47.179 25.397 -1.655  1.00 16.57 ? ? ? ? ? ? 52 HOH A O      1 
HETATM 168 O  O      . HOH C 3 . ? 38.131 36.735 -2.563  1.00 15.37 ? ? ? ? ? ? 53 HOH A O      1 
HETATM 169 O  O      . HOH C 3 . ? 40.819 23.610 0.072   1.00 17.02 ? ? ? ? ? ? 54 HOH A O      1 
HETATM 170 O  O      . HOH C 3 . ? 19.876 27.512 8.051   1.00 19.73 ? ? ? ? ? ? 55 HOH A O      1 
HETATM 171 O  O      . HOH C 3 . ? 24.456 29.955 0.625   1.00 19.14 ? ? ? ? ? ? 56 HOH A O      1 
HETATM 172 O  O      . HOH C 3 . ? 16.680 25.336 0.904   1.00 18.19 ? ? ? ? ? ? 57 HOH A O      1 
HETATM 173 O  O      . HOH C 3 . ? 20.788 38.072 0.188   1.00 16.29 ? ? ? ? ? ? 58 HOH A O      1 
HETATM 174 O  O      . HOH C 3 . ? 25.835 31.053 2.924   1.00 17.63 ? ? ? ? ? ? 59 HOH A O      1 
HETATM 175 O  O      . HOH C 3 . ? 27.779 29.198 -0.901  1.00 20.97 ? ? ? ? ? ? 60 HOH A O      1 
HETATM 176 O  O      . HOH C 3 . ? 24.665 33.307 6.523   1.00 18.45 ? ? ? ? ? ? 61 HOH A O      1 
HETATM 177 O  O      . HOH C 3 . ? 25.552 37.620 -3.388  1.00 18.60 ? ? ? ? ? ? 62 HOH A O      1 
HETATM 178 O  O      . HOH C 3 . ? 28.214 30.738 -6.754  1.00 20.91 ? ? ? ? ? ? 63 HOH A O      1 
HETATM 179 O  O      . HOH C 3 . ? 21.893 28.772 -0.197  1.00 22.42 ? ? ? ? ? ? 64 HOH A O      1 
HETATM 180 O  O      . HOH C 3 . ? 40.639 18.016 -4.060  1.00 22.50 ? ? ? ? ? ? 65 HOH A O      1 
HETATM 181 O  O      . HOH C 3 . ? 42.154 25.511 -7.132  1.00 20.43 ? ? ? ? ? ? 66 HOH A O      1 
HETATM 182 O  O      . HOH C 3 . ? 40.237 27.321 -7.392  1.00 22.74 ? ? ? ? ? ? 67 HOH A O      1 
HETATM 183 O  O      . HOH C 3 . ? 29.964 30.144 -4.765  1.00 23.05 ? ? ? ? ? ? 68 HOH A O      1 
HETATM 184 O  O      . HOH C 3 . ? 23.230 30.706 6.613   1.00 28.84 ? ? ? ? ? ? 69 HOH A O      1 
HETATM 185 O  O      . HOH C 3 . ? 17.253 27.161 -2.569  1.00 26.67 ? ? ? ? ? ? 70 HOH A O      1 
HETATM 186 O  O      . HOH C 3 . ? 39.245 37.001 -7.139  1.00 24.97 ? ? ? ? ? ? 71 HOH A O      1 
HETATM 187 O  O      . HOH C 3 . ? 24.615 29.643 -5.731  1.00 30.66 ? ? ? ? ? ? 72 HOH A O      1 
HETATM 188 O  O      . HOH C 3 . ? 25.378 38.822 -5.902  1.00 26.49 ? ? ? ? ? ? 73 HOH A O      1 
HETATM 189 O  O      . HOH C 3 . ? 31.742 26.408 -5.127  1.00 31.28 ? ? ? ? ? ? 74 HOH A O      1 
HETATM 190 O  O      . HOH C 3 . ? 24.066 29.151 -3.431  1.00 27.42 ? ? ? ? ? ? 75 HOH A O      1 
HETATM 191 O  O      . HOH C 3 . ? 32.147 28.889 -6.323  1.00 25.02 ? ? ? ? ? ? 76 HOH A O      1 
HETATM 192 O  O      . HOH C 3 . ? 28.024 29.787 3.015   1.00 33.72 ? ? ? ? ? ? 77 HOH A O      1 
HETATM 193 O  O      . HOH C 3 . ? 35.843 30.138 -7.908  1.00 27.43 ? ? ? ? ? ? 78 HOH A O      1 
HETATM 194 O  O      . HOH C 3 . ? 38.589 30.080 -11.287 1.00 35.37 ? ? ? ? ? ? 79 HOH A O      1 
HETATM 195 O  O      . HOH C 3 . ? 44.573 28.818 -6.553  1.00 32.87 ? ? ? ? ? ? 80 HOH A O      1 
HETATM 196 O  O      . HOH C 3 . ? 28.490 36.772 -11.597 1.00 32.04 ? ? ? ? ? ? 81 HOH A O      1 
HETATM 197 O  O      . HOH C 3 . ? 38.578 38.578 0.000   1.00 25.92 ? ? ? ? ? ? 82 HOH A O      1 
HETATM 198 O  O      . HOH C 3 . ? 41.788 18.348 -1.340  1.00 31.16 ? ? ? ? ? ? 83 HOH A O      1 
HETATM 199 O  O      . HOH C 3 . ? 35.269 28.735 -9.955  1.00 34.40 ? ? ? ? ? ? 84 HOH A O      1 
HETATM 200 O  O      . HOH C 3 . ? 25.490 28.509 -1.209  1.00 32.13 ? ? ? ? ? ? 85 HOH A O      1 
HETATM 201 O  O      . HOH C 3 . ? 27.789 33.472 -10.901 1.00 36.80 ? ? ? ? ? ? 86 HOH A O      1 
HETATM 202 O  O      . HOH C 3 . ? 33.010 31.095 -7.509  1.00 32.27 ? ? ? ? ? ? 87 HOH A O      1 
HETATM 203 O  O      . HOH C 3 . ? 20.914 27.149 10.752  1.00 32.68 ? ? ? ? ? ? 88 HOH A O      1 
HETATM 204 O  O      . HOH C 3 . ? 42.766 26.198 -9.699  1.00 31.03 ? ? ? ? ? ? 89 HOH A O      1 
HETATM 205 O  O      . HOH C 3 . ? 40.677 31.238 -9.324  1.00 39.10 ? ? ? ? ? ? 90 HOH A O      1 
HETATM 206 O  O      . HOH C 3 . ? 41.798 28.876 -9.742  1.00 35.93 ? ? ? ? ? ? 91 HOH A O      1 
HETATM 207 O  O      . HOH C 3 . ? 33.112 37.335 -10.964 1.00 28.24 ? ? ? ? ? ? 92 HOH A O      1 
HETATM 208 O  O      . HOH C 3 . ? 40.758 26.327 -11.980 1.00 36.49 ? ? ? ? ? ? 93 HOH A O      1 
HETATM 209 O  O      . HOH C 3 . ? 35.472 36.463 -10.398 1.00 37.62 ? ? ? ? ? ? 94 HOH A O      1 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1 DG  1 1 1 DG  G   A . n 
A 1 2 UMS 2 2 2 UMS UMS A . n 
A 1 3 DG  3 3 3 DG  G   A . n 
A 1 4 DT  4 4 4 DT  T   A . n 
A 1 5 DA  5 5 5 DA  A   A . n 
A 1 6 DC  6 6 6 DC  C   A . n 
A 1 7 DA  7 7 7 DA  A   A . n 
A 1 8 DC  8 8 8 DC  C   A . n 
# 
_pdbx_prerelease_seq.entity_id             1 
_pdbx_prerelease_seq.seq_one_letter_code   '(DG)(UMS)(DG)(DT)(DA)(DC)(DA)(DC)' 
# 
_software.name             CNS 
_software.classification   refinement 
_software.version          1.1 
_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 
1Z7I 2008-04-30 3 2    'Version format compliance' 'compliance with PDB format V.3.15'          
1Z7I 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' 
# 
_ndb_struct_conf_na.entry_id   1Z7I 
_ndb_struct_conf_na.feature    'a-form double helix' 
# 
loop_
_ndb_struct_na_base_pair.model_number 
_ndb_struct_na_base_pair.i_label_asym_id 
_ndb_struct_na_base_pair.i_label_comp_id 
_ndb_struct_na_base_pair.i_label_seq_id 
_ndb_struct_na_base_pair.i_symmetry 
_ndb_struct_na_base_pair.j_label_asym_id 
_ndb_struct_na_base_pair.j_label_comp_id 
_ndb_struct_na_base_pair.j_label_seq_id 
_ndb_struct_na_base_pair.j_symmetry 
_ndb_struct_na_base_pair.shear 
_ndb_struct_na_base_pair.stretch 
_ndb_struct_na_base_pair.stagger 
_ndb_struct_na_base_pair.buckle 
_ndb_struct_na_base_pair.opening 
_ndb_struct_na_base_pair.pair_number 
_ndb_struct_na_base_pair.pair_name 
_ndb_struct_na_base_pair.i_auth_asym_id 
_ndb_struct_na_base_pair.i_auth_seq_id 
_ndb_struct_na_base_pair.i_PDB_ins_code 
_ndb_struct_na_base_pair.j_auth_asym_id 
_ndb_struct_na_base_pair.j_auth_seq_id 
_ndb_struct_na_base_pair.j_PDB_ins_code 
_ndb_struct_na_base_pair.hbond_type_28 
_ndb_struct_na_base_pair.hbond_type_12 
1 A DG  1 1_555 A DC  8 7_555 -0.273 -0.113 -0.248 -16.737 -1.719 1 A_DG1:DC8_A  A 1 ? A 8 ? 19 1 
1 A UMS 2 1_555 A DA  7 7_555 -0.055 -0.099 0.148  -7.610  2.877  2 A_UMS2:DA7_A A 2 ? A 7 ? 20 1 
1 A DG  3 1_555 A DC  6 7_555 -0.255 -0.136 0.188  -3.852  2.289  3 A_DG3:DC6_A  A 3 ? A 6 ? 19 1 
1 A DT  4 1_555 A DA  5 7_555 -0.094 -0.138 0.208  -2.817  -4.402 4 A_DT4:DA5_A  A 4 ? A 5 ? 20 1 
1 A DA  5 1_555 A DT  4 7_555 0.094  -0.138 0.208  2.817   -4.402 5 A_DA5:DT4_A  A 5 ? A 4 ? 20 1 
1 A DC  6 1_555 A DG  3 7_555 0.255  -0.136 0.188  3.852   2.289  6 A_DC6:DG3_A  A 6 ? A 3 ? 19 1 
1 A DA  7 1_555 A UMS 2 7_555 0.055  -0.099 0.148  7.610   2.877  7 A_DA7:UMS2_A A 7 ? A 2 ? 20 1 
1 A DC  8 1_555 A DG  1 7_555 0.273  -0.113 -0.248 16.737  -1.719 8 A_DC8:DG1_A  A 8 ? A 1 ? 19 1 
# 
loop_
_ndb_struct_na_base_pair_step.model_number 
_ndb_struct_na_base_pair_step.i_label_asym_id_1 
_ndb_struct_na_base_pair_step.i_label_comp_id_1 
_ndb_struct_na_base_pair_step.i_label_seq_id_1 
_ndb_struct_na_base_pair_step.i_symmetry_1 
_ndb_struct_na_base_pair_step.j_label_asym_id_1 
_ndb_struct_na_base_pair_step.j_label_comp_id_1 
_ndb_struct_na_base_pair_step.j_label_seq_id_1 
_ndb_struct_na_base_pair_step.j_symmetry_1 
_ndb_struct_na_base_pair_step.i_label_asym_id_2 
_ndb_struct_na_base_pair_step.i_label_comp_id_2 
_ndb_struct_na_base_pair_step.i_label_seq_id_2 
_ndb_struct_na_base_pair_step.i_symmetry_2 
_ndb_struct_na_base_pair_step.j_label_asym_id_2 
_ndb_struct_na_base_pair_step.j_label_comp_id_2 
_ndb_struct_na_base_pair_step.j_label_seq_id_2 
_ndb_struct_na_base_pair_step.j_symmetry_2 
_ndb_struct_na_base_pair_step.shift 
_ndb_struct_na_base_pair_step.slide 
_ndb_struct_na_base_pair_step.rise 
_ndb_struct_na_base_pair_step.tilt 
_ndb_struct_na_base_pair_step.roll 
_ndb_struct_na_base_pair_step.twist 
_ndb_struct_na_base_pair_step.x_displacement 
_ndb_struct_na_base_pair_step.y_displacement 
_ndb_struct_na_base_pair_step.helical_rise 
_ndb_struct_na_base_pair_step.inclination 
_ndb_struct_na_base_pair_step.tip 
_ndb_struct_na_base_pair_step.helical_twist 
_ndb_struct_na_base_pair_step.step_number 
_ndb_struct_na_base_pair_step.step_name 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 
1 A DG  1 1_555 A DC  8 7_555 A UMS 2 1_555 A DA  7 7_555 0.530  -0.955 3.151 -1.854 13.355 29.525 -3.831 -1.245 2.464 24.651 
3.421  32.396 1 AA_DG1UMS2:DA7DC8_AA A 1 ? A 8 ? A 2 ? A 7 ? 
1 A UMS 2 1_555 A DA  7 7_555 A DG  3 1_555 A DC  6 7_555 0.648  -1.399 3.015 0.871  13.430 29.267 -4.536 -1.040 2.196 24.981 
-1.620 32.152 2 AA_UMS2DG3:DC6DA7_AA A 2 ? A 7 ? A 3 ? A 6 ? 
1 A DG  3 1_555 A DC  6 7_555 A DT  4 1_555 A DA  5 7_555 -0.436 -1.435 3.252 1.037  1.208  36.346 -2.464 0.840  3.191 1.935  
-1.661 36.379 3 AA_DG3DT4:DA5DC6_AA  A 3 ? A 6 ? A 4 ? A 5 ? 
1 A DT  4 1_555 A DA  5 7_555 A DA  5 1_555 A DT  4 7_555 0.000  -1.437 3.013 0.000  7.930  29.803 -4.044 -0.000 2.555 15.086 
-0.000 30.817 4 AA_DT4DA5:DT4DA5_AA  A 4 ? A 5 ? A 5 ? A 4 ? 
1 A DA  5 1_555 A DT  4 7_555 A DC  6 1_555 A DG  3 7_555 0.436  -1.435 3.252 -1.037 1.208  36.346 -2.464 -0.840 3.191 1.935  
1.661  36.379 5 AA_DA5DC6:DG3DT4_AA  A 5 ? A 4 ? A 6 ? A 3 ? 
1 A DC  6 1_555 A DG  3 7_555 A DA  7 1_555 A UMS 2 7_555 -0.648 -1.399 3.015 -0.871 13.430 29.267 -4.536 1.040  2.196 24.981 
1.620  32.152 6 AA_DC6DA7:UMS2DG3_AA A 6 ? A 3 ? A 7 ? A 2 ? 
1 A DA  7 1_555 A UMS 2 7_555 A DC  8 1_555 A DG  1 7_555 -0.530 -0.955 3.151 1.854  13.355 29.525 -3.831 1.245  2.464 24.651 
-3.421 32.396 7 AA_DA7DC8:DG1UMS2_AA A 7 ? A 2 ? A 8 ? A 1 ? 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
1  N 1 1 A SPM 50 ? N1  ? 
2  N 1 1 A SPM 50 ? C2  ? 
3  N 1 1 A SPM 50 ? C3  ? 
4  N 1 1 A SPM 50 ? C4  ? 
5  N 1 1 A SPM 50 ? C8  ? 
6  N 1 1 A SPM 50 ? C9  ? 
7  N 1 1 A SPM 50 ? N10 ? 
8  N 1 1 A SPM 50 ? C11 ? 
9  N 1 1 A SPM 50 ? C12 ? 
10 N 1 1 A SPM 50 ? C13 ? 
11 N 1 1 A SPM 50 ? N14 ? 
# 
_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' 7_555 y,x,-z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 
# 
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 SPM 1  50 50 SPM SPM A . 
C 3 HOH 1  51 1  HOH HOH A . 
C 3 HOH 2  52 2  HOH HOH A . 
C 3 HOH 3  53 3  HOH HOH A . 
C 3 HOH 4  54 4  HOH HOH A . 
C 3 HOH 5  55 5  HOH HOH A . 
C 3 HOH 6  56 6  HOH HOH A . 
C 3 HOH 7  57 7  HOH HOH A . 
C 3 HOH 8  58 8  HOH HOH A . 
C 3 HOH 9  59 9  HOH HOH A . 
C 3 HOH 10 60 10 HOH HOH A . 
C 3 HOH 11 61 11 HOH HOH A . 
C 3 HOH 12 62 12 HOH HOH A . 
C 3 HOH 13 63 13 HOH HOH A . 
C 3 HOH 14 64 14 HOH HOH A . 
C 3 HOH 15 65 15 HOH HOH A . 
C 3 HOH 16 66 16 HOH HOH A . 
C 3 HOH 17 67 17 HOH HOH A . 
C 3 HOH 18 68 18 HOH HOH A . 
C 3 HOH 19 69 19 HOH HOH A . 
C 3 HOH 20 70 20 HOH HOH A . 
C 3 HOH 21 71 21 HOH HOH A . 
C 3 HOH 22 72 22 HOH HOH A . 
C 3 HOH 23 73 23 HOH HOH A . 
C 3 HOH 24 74 24 HOH HOH A . 
C 3 HOH 25 75 25 HOH HOH A . 
C 3 HOH 26 76 26 HOH HOH A . 
C 3 HOH 27 77 27 HOH HOH A . 
C 3 HOH 28 78 28 HOH HOH A . 
C 3 HOH 29 79 29 HOH HOH A . 
C 3 HOH 30 80 30 HOH HOH A . 
C 3 HOH 31 81 31 HOH HOH A . 
C 3 HOH 32 82 32 HOH HOH A . 
C 3 HOH 33 83 33 HOH HOH A . 
C 3 HOH 34 84 34 HOH HOH A . 
C 3 HOH 35 85 35 HOH HOH A . 
C 3 HOH 36 86 36 HOH HOH A . 
C 3 HOH 37 87 37 HOH HOH A . 
C 3 HOH 38 88 38 HOH HOH A . 
C 3 HOH 39 89 39 HOH HOH A . 
C 3 HOH 40 90 40 HOH HOH A . 
C 3 HOH 41 91 41 HOH HOH A . 
C 3 HOH 42 92 42 HOH HOH A . 
C 3 HOH 43 93 43 HOH HOH A . 
C 3 HOH 44 94 44 HOH HOH A . 
# 
_pdbx_struct_mod_residue.id               1 
_pdbx_struct_mod_residue.label_asym_id    A 
_pdbx_struct_mod_residue.label_seq_id     2 
_pdbx_struct_mod_residue.label_comp_id    UMS 
_pdbx_struct_mod_residue.auth_asym_id     A 
_pdbx_struct_mod_residue.auth_seq_id      2 
_pdbx_struct_mod_residue.auth_comp_id     UMS 
_pdbx_struct_mod_residue.PDB_ins_code     ? 
_pdbx_struct_mod_residue.parent_comp_id   DU 
_pdbx_struct_mod_residue.details          ? 
# 
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 "O4'" A DG 1 ? ? "C1'" A DG 1 ? ? N9 A DG 1 ? ? -6.1 
2 1 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? N9 A DG 3 ? ? -5.7 
3 1 "O4'" A DT 4 ? ? "C1'" A DT 4 ? ? N1 A DT 4 ? ? -6.0 
# 
_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     8 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.rmsd            0.066 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 SPERMINE SPM 
3 water    HOH 
# 
