data_3T86
# 
_entry.id   3T86 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.047 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB  3T86       
NDB  NA1256     
RCSB RCSB067158 
# 
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 2012-06-13 2011-08-01 ? 3T86 0 
2 2014-11-12 ?          ? 3T86 1 
# 
_database_PDB_rev_record.rev_num   2 
_database_PDB_rev_record.type      AUTHOR 
_database_PDB_rev_record.details   ? 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.db_id          1QYK,1QYL,1QLZ,1R2O,1MF5,184D 
_pdbx_database_related.details        'metal ions with the GCATGCT sequence' 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_database_status.status_code                    REL 
_pdbx_database_status.entry_id                       3T86 
_pdbx_database_status.deposit_site                   RCSB 
_pdbx_database_status.process_site                   RCSB 
_pdbx_database_status.SG_entry                       ? 
_pdbx_database_status.status_code_cs                 ? 
_pdbx_database_status.methods_development_category   ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Cardin, C.J.' 1 
'Gan, Y.'      2 
# 
_citation.id                        primary 
_citation.title                     
;A novel structure for the d(GCATGCT) quadruplex in the presence of nickel and cobalt aqueous cations : comparison with the vanadium, barium and calcium-bound structural motif.
;
_citation.journal_abbrev            'To be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Gan, Y.'          1 
primary 'Thorpe, J.H.'     2 
primary 'Teixeira, S.C.M.' 3 
primary 'Naseer, A.'       4 
primary 'Cardin, C.J.'     5 
# 
_cell.entry_id           3T86 
_cell.length_a           22.742 
_cell.length_b           58.341 
_cell.length_c           23.669 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
_cell.length_a_esd       ? 
_cell.length_b_esd       ? 
_cell.length_c_esd       ? 
_cell.angle_alpha_esd    ? 
_cell.angle_beta_esd     ? 
_cell.angle_gamma_esd    ? 
# 
_symmetry.entry_id                         3T86 
_symmetry.space_group_name_H-M             'C 2 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                ? 
_symmetry.space_group_name_Hall            ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.details 
1 polymer     syn 
;DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
;
2113.428 1  'DNA heptamer' 
2 non-polymer syn 'POTASSIUM ION'                       39.098   1  ?              
3 non-polymer syn 'CALCIUM ION'                         40.080   1  ?              
4 water       nat water                                 18.015   10 ?              
# 
_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       '(DG)(DC)(DA)(DT)(DG)(DC)(DT)' 
_entity_poly.pdbx_seq_one_letter_code_can   GCATGCT 
_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 DC n 
1 3 DA n 
1 4 DT n 
1 5 DG n 
1 6 DC n 
1 7 DT n 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    PDB 
_struct_ref.db_code                    3T86 
_struct_ref.pdbx_db_accession          3T86 
_struct_ref.entity_id                  1 
_struct_ref.biol_id                    . 
_struct_ref.pdbx_align_begin           ? 
_struct_ref.pdbx_seq_one_letter_code   GCATGCT 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              3T86 
_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                 7 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             3T86 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.db_align_end                  7 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       7 
# 
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 
DC  'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"  ? 'C9 H14 N3 O7 P'  307.199 
DA  'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.224 
DT  'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE"         ? 'C10 H15 N2 O8 P' 322.211 
K   NON-POLYMER   . 'POTASSIUM ION'                      ? 'K 1'             39.098  
CA  NON-POLYMER   . 'CALCIUM ION'                        ? 'CA 2'            40.080  
HOH NON-POLYMER   . WATER                                ? 'H2 O'            18.015  
# 
_exptl.entry_id          3T86 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      1.86 
_exptl_crystal.density_percent_sol   33.78 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.temp            290 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              6.5 
_exptl_crystal_grow.pdbx_details    
;Drops initially containing 2ul 20 mm sodium cacodylate, 2ul calcium chloride, 2ul potassium chloride, 2 ul 10% PEG, 2ul 1 mM DNA, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K
;
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               'IMAGE PLATE' 
_diffrn_detector.type                   'RIGAKU RAXIS IV++' 
_diffrn_detector.pdbx_collection_date   2004-01-01 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5418 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.type                        'RIGAKU FR-D' 
_diffrn_source.pdbx_synchrotron_site       ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        1.5418 
# 
_reflns.entry_id                     3T86 
_reflns.observed_criterion_sigma_I   0.0 
_reflns.observed_criterion_sigma_F   0.0 
_reflns.d_resolution_low             29.11 
_reflns.d_resolution_high            1.90 
_reflns.number_obs                   1246 
_reflns.number_all                   1246 
_reflns.percent_possible_obs         95.7 
_reflns.pdbx_Rmerge_I_obs            ? 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        ? 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              ? 
_reflns.R_free_details               ? 
_reflns.limit_h_max                  ? 
_reflns.limit_h_min                  ? 
_reflns.limit_k_max                  ? 
_reflns.limit_k_min                  ? 
_reflns.limit_l_max                  ? 
_reflns.limit_l_min                  ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_computing.entry_id                           3T86 
_computing.pdbx_data_reduction_ii             MOSFLM 
_computing.pdbx_data_reduction_ds             SCALA 
_computing.data_collection                    CrystalClear 
_computing.structure_solution                 XFIT 
_computing.structure_refinement               'REFMAC 5.0' 
_computing.pdbx_structure_refinement_method   ? 
# 
_refine.entry_id                               3T86 
_refine.ls_number_reflns_obs                   1233 
_refine.ls_number_reflns_all                   1246 
_refine.pdbx_ls_sigma_I                        ? 
_refine.pdbx_ls_sigma_F                        0.0 
_refine.pdbx_data_cutoff_high_absF             ? 
_refine.pdbx_data_cutoff_low_absF              ? 
_refine.pdbx_data_cutoff_high_rms_absF         ? 
_refine.ls_d_res_low                           29.11 
_refine.ls_d_res_high                          1.90 
_refine.ls_percent_reflns_obs                  93.85 
_refine.ls_R_factor_obs                        0.24135 
_refine.ls_R_factor_all                        ? 
_refine.ls_R_factor_R_work                     0.23927 
_refine.ls_R_factor_R_free                     0.27918 
_refine.ls_R_factor_R_free_error               ? 
_refine.ls_R_factor_R_free_error_details       ? 
_refine.ls_percent_reflns_R_free               4.9 
_refine.ls_number_reflns_R_free                64 
_refine.ls_number_parameters                   ? 
_refine.ls_number_restraints                   ? 
_refine.occupancy_min                          ? 
_refine.occupancy_max                          ? 
_refine.correlation_coeff_Fo_to_Fc             0.938 
_refine.correlation_coeff_Fo_to_Fc_free        0.890 
_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                  MASK 
_refine.solvent_model_param_ksol               ? 
_refine.solvent_model_param_bsol               ? 
_refine.pdbx_solvent_vdw_probe_radii           1.20 
_refine.pdbx_solvent_ion_probe_radii           0.80 
_refine.pdbx_solvent_shrinkage_radii           0.80 
_refine.pdbx_ls_cross_valid_method             THROUGHOUT 
_refine.details                                ? 
_refine.pdbx_starting_model                    ? 
_refine.pdbx_method_to_determine_struct        'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model           ? 
_refine.pdbx_stereochemistry_target_values     'Engh & Huber' 
_refine.pdbx_stereochem_target_val_spec_case   ? 
_refine.pdbx_R_Free_selection_details          RANDOM 
_refine.pdbx_overall_ESU_R_Free                0.193 
_refine.overall_SU_ML                          0.156 
_refine.pdbx_overall_phase_error               ? 
_refine.overall_SU_B                           ? 
_refine.overall_SU_R_Cruickshank_DPI           ? 
_refine.ls_redundancy_reflns_obs               ? 
_refine.B_iso_min                              ? 
_refine.B_iso_max                              ? 
_refine.overall_SU_R_free                      ? 
_refine.ls_wR_factor_R_free                    ? 
_refine.ls_wR_factor_R_work                    ? 
_refine.overall_FOM_free_R_set                 ? 
_refine.overall_FOM_work_R_set                 ? 
_refine.pdbx_diffrn_id                         1 
_refine.pdbx_refine_id                         'X-RAY DIFFRACTION' 
_refine.pdbx_overall_ESU_R                     ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        0 
_refine_hist.pdbx_number_atoms_nucleic_acid   140 
_refine_hist.pdbx_number_atoms_ligand         2 
_refine_hist.number_atoms_solvent             10 
_refine_hist.number_atoms_total               152 
_refine_hist.d_res_high                       1.90 
_refine_hist.d_res_low                        29.11 
# 
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_restraint_function 
_refine_ls_restr.pdbx_refine_id 
r_bond_refined_d             0.013 0.021 ? 156 ? 'X-RAY DIFFRACTION' 
r_bond_other_d               ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_angle_refined_deg          2.199 3.000 ? 239 ? 'X-RAY DIFFRACTION' 
r_angle_other_deg            ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_dihedral_angle_1_deg       ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_dihedral_angle_2_deg       ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_dihedral_angle_3_deg       ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_dihedral_angle_4_deg       ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_chiral_restr               ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_gen_planes_refined         0.009 0.020 ? 71  ? 'X-RAY DIFFRACTION' 
r_gen_planes_other           ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_nbd_refined                0.168 0.200 ? 43  ? 'X-RAY DIFFRACTION' 
r_nbd_other                  ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_nbtor_refined              0.304 0.200 ? 88  ? 'X-RAY DIFFRACTION' 
r_nbtor_other                ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_xyhbond_nbd_refined        0.273 0.200 ? 3   ? 'X-RAY DIFFRACTION' 
r_xyhbond_nbd_other          ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_metal_ion_refined          ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_metal_ion_other            ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_symmetry_vdw_refined       0.127 0.200 ? 12  ? 'X-RAY DIFFRACTION' 
r_symmetry_vdw_other         ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_symmetry_hbond_refined     0.130 0.200 ? 10  ? 'X-RAY DIFFRACTION' 
r_symmetry_hbond_other       ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_symmetry_metal_ion_refined 0.143 0.200 ? 3   ? 'X-RAY DIFFRACTION' 
r_symmetry_metal_ion_other   ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_mcbond_it                  ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_mcbond_other               ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_mcangle_it                 ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_scbond_it                  ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_scangle_it                 ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_rigid_bond_restr           ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_sphericity_free            ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
r_sphericity_bonded          ?     ?     ? ?   ? 'X-RAY DIFFRACTION' 
# 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.d_res_high                       1.900 
_refine_ls_shell.d_res_low                        1.950 
_refine_ls_shell.number_reflns_R_work             87 
_refine_ls_shell.R_factor_R_work                  0.375 
_refine_ls_shell.percent_reflns_obs               87.62 
_refine_ls_shell.R_factor_R_free                  0.263 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             5 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.number_reflns_obs                156 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  3T86 
_struct.title                     'd(GCATGCT) + calcium' 
_struct.pdbx_descriptor           DNA 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        3T86 
_struct_keywords.pdbx_keywords   DNA 
_struct_keywords.text            'quadruplex, loop, 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 ? 
D N N 4 ? 
# 
_struct_biol.id        1 
_struct_biol.details   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
metalc1 metalc ? A DC 2 OP1 ? ? ? 1_555 B K   . K  ? ? A DC 2 A K   8   1_555 ? ? ? ? ? ? ?            2.846 ? 
metalc2 metalc ? A DC 6 OP1 ? ? ? 1_555 B K   . K  ? ? A DC 6 A K   8   1_555 ? ? ? ? ? ? ?            2.942 ? 
metalc3 metalc ? C CA . CA  ? ? ? 1_555 D HOH . O  ? ? A CA 9 A HOH 106 1_555 ? ? ? ? ? ? ?            2.208 ? 
metalc4 metalc ? C CA . CA  ? ? ? 1_555 D HOH . O  ? ? A CA 9 A HOH 103 1_555 ? ? ? ? ? ? ?            2.466 ? 
metalc5 metalc ? C CA . CA  ? ? ? 1_555 D HOH . O  ? ? A CA 9 A HOH 107 1_555 ? ? ? ? ? ? ?            2.648 ? 
metalc6 metalc ? B K  . K   ? ? ? 1_555 D HOH . O  ? ? A K  8 A HOH 102 1_555 ? ? ? ? ? ? ?            3.133 ? 
hydrog1 hydrog ? A DG 1 N2  ? ? ? 1_555 A DC  6 O2 ? ? A DG 1 A DC  6   1_555 ? ? ? ? ? ? 'DG-DC PAIR' ?     ? 
hydrog2 hydrog ? A DC 2 O2  ? ? ? 1_555 A DG  5 N2 ? ? A DC 2 A DG  5   1_555 ? ? ? ? ? ? 'DC-DG PAIR' ?     ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
metalc ?                                                                                                             ? 
hydrog 'For hydrogen bonding between nucleic acid bases, donor to acceptor distance of 2.2 -3.5 Angstroms was used.' ? 
# 
loop_
_struct_site.id 
_struct_site.details 
_struct_site.pdbx_evidence_code 
AC1 'BINDING SITE FOR RESIDUE K A 8'  SOFTWARE 
AC2 'BINDING SITE FOR RESIDUE CA A 9' 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 7  DG  A 1 ? DG  A 1   . . 1_555 ? 
2  AC1 7  DG  A 1 ? DG  A 1   . . 3_656 ? 
3  AC1 7  DC  A 2 ? DC  A 2   . . 1_555 ? 
4  AC1 7  DC  A 2 ? DC  A 2   . . 3_656 ? 
5  AC1 7  DC  A 6 ? DC  A 6   . . 3_656 ? 
6  AC1 7  DC  A 6 ? DC  A 6   . . 1_555 ? 
7  AC1 7  HOH D . ? HOH A 102 . . 3_656 ? 
8  AC2 12 HOH D . ? HOH A 103 . . 1_555 ? 
9  AC2 12 HOH D . ? HOH A 103 . . 2_555 ? 
10 AC2 12 HOH D . ? HOH A 103 . . 3_555 ? 
11 AC2 12 HOH D . ? HOH A 103 . . 4_555 ? 
12 AC2 12 HOH D . ? HOH A 106 . . 3_555 ? 
13 AC2 12 HOH D . ? HOH A 106 . . 1_555 ? 
14 AC2 12 HOH D . ? HOH A 106 . . 4_555 ? 
15 AC2 12 HOH D . ? HOH A 106 . . 2_555 ? 
16 AC2 12 HOH D . ? HOH A 107 . . 4_555 ? 
17 AC2 12 HOH D . ? HOH A 107 . . 3_555 ? 
18 AC2 12 HOH D . ? HOH A 107 . . 2_555 ? 
19 AC2 12 HOH D . ? HOH A 107 . . 1_555 ? 
# 
_database_PDB_matrix.entry_id          3T86 
_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                    3T86 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.043972 
_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]   0.017141 
_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]   0.042249 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C  
CA 
K  
N  
O  
P  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.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 ? 17.025 9.020  8.603  1.00 20.44 ? ? ? ? ? ? 1   DG  A "O5'" 1 
ATOM   2   C  "C5'" . DG  A 1 1 ? 15.814 9.676  8.847  1.00 18.17 ? ? ? ? ? ? 1   DG  A "C5'" 1 
ATOM   3   C  "C4'" . DG  A 1 1 ? 14.706 8.884  8.177  1.00 17.95 ? ? ? ? ? ? 1   DG  A "C4'" 1 
ATOM   4   O  "O4'" . DG  A 1 1 ? 14.835 8.980  6.738  1.00 18.83 ? ? ? ? ? ? 1   DG  A "O4'" 1 
ATOM   5   C  "C3'" . DG  A 1 1 ? 14.552 7.397  8.496  1.00 15.80 ? ? ? ? ? ? 1   DG  A "C3'" 1 
ATOM   6   O  "O3'" . DG  A 1 1 ? 13.145 7.203  8.778  1.00 15.05 ? ? ? ? ? ? 1   DG  A "O3'" 1 
ATOM   7   C  "C2'" . DG  A 1 1 ? 15.042 6.703  7.225  1.00 16.42 ? ? ? ? ? ? 1   DG  A "C2'" 1 
ATOM   8   C  "C1'" . DG  A 1 1 ? 14.689 7.706  6.148  1.00 13.92 ? ? ? ? ? ? 1   DG  A "C1'" 1 
ATOM   9   N  N9    . DG  A 1 1 ? 15.636 7.810  5.051  1.00 16.35 ? ? ? ? ? ? 1   DG  A N9    1 
ATOM   10  C  C8    . DG  A 1 1 ? 17.017 7.649  5.082  1.00 14.66 ? ? ? ? ? ? 1   DG  A C8    1 
ATOM   11  N  N7    . DG  A 1 1 ? 17.557 7.853  3.915  1.00 15.55 ? ? ? ? ? ? 1   DG  A N7    1 
ATOM   12  C  C5    . DG  A 1 1 ? 16.490 8.170  3.063  1.00 15.05 ? ? ? ? ? ? 1   DG  A C5    1 
ATOM   13  C  C6    . DG  A 1 1 ? 16.448 8.482  1.663  1.00 14.28 ? ? ? ? ? ? 1   DG  A C6    1 
ATOM   14  O  O6    . DG  A 1 1 ? 17.345 8.584  0.813  1.00 13.70 ? ? ? ? ? ? 1   DG  A O6    1 
ATOM   15  N  N1    . DG  A 1 1 ? 15.152 8.724  1.243  1.00 15.89 ? ? ? ? ? ? 1   DG  A N1    1 
ATOM   16  C  C2    . DG  A 1 1 ? 14.017 8.696  2.028  1.00 13.71 ? ? ? ? ? ? 1   DG  A C2    1 
ATOM   17  N  N2    . DG  A 1 1 ? 12.869 8.980  1.407  1.00 12.40 ? ? ? ? ? ? 1   DG  A N2    1 
ATOM   18  N  N3    . DG  A 1 1 ? 14.032 8.421  3.310  1.00 12.33 ? ? ? ? ? ? 1   DG  A N3    1 
ATOM   19  C  C4    . DG  A 1 1 ? 15.300 8.152  3.754  1.00 14.15 ? ? ? ? ? ? 1   DG  A C4    1 
ATOM   20  P  P     . DC  A 1 2 ? 12.549 5.789  9.163  1.00 15.31 ? ? ? ? ? ? 2   DC  A P     1 
ATOM   21  O  OP1   . DC  A 1 2 ? 11.337 5.965  9.935  1.00 16.40 ? ? ? ? ? ? 2   DC  A OP1   1 
ATOM   22  O  OP2   . DC  A 1 2 ? 13.630 4.916  9.636  1.00 14.53 ? ? ? ? ? ? 2   DC  A OP2   1 
ATOM   23  O  "O5'" . DC  A 1 2 ? 12.067 5.211  7.791  1.00 16.87 ? ? ? ? ? ? 2   DC  A "O5'" 1 
ATOM   24  C  "C5'" . DC  A 1 2 ? 11.005 5.822  7.052  1.00 15.27 ? ? ? ? ? ? 2   DC  A "C5'" 1 
ATOM   25  C  "C4'" . DC  A 1 2 ? 11.007 5.176  5.683  1.00 15.01 ? ? ? ? ? ? 2   DC  A "C4'" 1 
ATOM   26  O  "O4'" . DC  A 1 2 ? 12.199 5.573  4.953  1.00 15.58 ? ? ? ? ? ? 2   DC  A "O4'" 1 
ATOM   27  C  "C3'" . DC  A 1 2 ? 11.045 3.656  5.703  1.00 13.50 ? ? ? ? ? ? 2   DC  A "C3'" 1 
ATOM   28  O  "O3'" . DC  A 1 2 ? 9.763  3.183  5.314  1.00 14.70 ? ? ? ? ? ? 2   DC  A "O3'" 1 
ATOM   29  C  "C2'" . DC  A 1 2 ? 12.122 3.258  4.692  1.00 12.97 ? ? ? ? ? ? 2   DC  A "C2'" 1 
ATOM   30  C  "C1'" . DC  A 1 2 ? 12.368 4.576  3.965  1.00 15.12 ? ? ? ? ? ? 2   DC  A "C1'" 1 
ATOM   31  N  N1    . DC  A 1 2 ? 13.699 4.715  3.388  1.00 13.17 ? ? ? ? ? ? 2   DC  A N1    1 
ATOM   32  C  C2    . DC  A 1 2 ? 13.811 5.104  2.048  1.00 12.92 ? ? ? ? ? ? 2   DC  A C2    1 
ATOM   33  O  O2    . DC  A 1 2 ? 12.799 5.360  1.379  1.00 13.25 ? ? ? ? ? ? 2   DC  A O2    1 
ATOM   34  N  N3    . DC  A 1 2 ? 15.048 5.233  1.521  1.00 14.79 ? ? ? ? ? ? 2   DC  A N3    1 
ATOM   35  C  C4    . DC  A 1 2 ? 16.129 4.976  2.274  1.00 13.98 ? ? ? ? ? ? 2   DC  A C4    1 
ATOM   36  N  N4    . DC  A 1 2 ? 17.333 5.108  1.703  1.00 13.63 ? ? ? ? ? ? 2   DC  A N4    1 
ATOM   37  C  C5    . DC  A 1 2 ? 16.021 4.551  3.629  1.00 14.55 ? ? ? ? ? ? 2   DC  A C5    1 
ATOM   38  C  C6    . DC  A 1 2 ? 14.794 4.438  4.146  1.00 12.93 ? ? ? ? ? ? 2   DC  A C6    1 
ATOM   39  P  P     . DA  A 1 3 ? 8.926  2.212  6.252  1.00 14.97 ? ? ? ? ? ? 3   DA  A P     1 
ATOM   40  O  OP1   . DA  A 1 3 ? 8.888  2.849  7.585  1.00 18.02 ? ? ? ? ? ? 3   DA  A OP1   1 
ATOM   41  O  OP2   . DA  A 1 3 ? 9.465  0.879  6.049  1.00 13.55 ? ? ? ? ? ? 3   DA  A OP2   1 
ATOM   42  O  "O5'" . DA  A 1 3 ? 7.450  2.322  5.711  1.00 15.47 ? ? ? ? ? ? 3   DA  A "O5'" 1 
ATOM   43  C  "C5'" . DA  A 1 3 ? 6.748  3.585  5.714  1.00 15.06 ? ? ? ? ? ? 3   DA  A "C5'" 1 
ATOM   44  C  "C4'" . DA  A 1 3 ? 5.893  3.713  4.463  1.00 15.41 ? ? ? ? ? ? 3   DA  A "C4'" 1 
ATOM   45  O  "O4'" . DA  A 1 3 ? 6.779  3.850  3.332  1.00 15.90 ? ? ? ? ? ? 3   DA  A "O4'" 1 
ATOM   46  C  "C3'" . DA  A 1 3 ? 4.956  2.556  4.094  1.00 14.58 ? ? ? ? ? ? 3   DA  A "C3'" 1 
ATOM   47  O  "O3'" . DA  A 1 3 ? 3.736  3.128  3.637  1.00 16.86 ? ? ? ? ? ? 3   DA  A "O3'" 1 
ATOM   48  C  "C2'" . DA  A 1 3 ? 5.679  1.786  3.002  1.00 11.79 ? ? ? ? ? ? 3   DA  A "C2'" 1 
ATOM   49  C  "C1'" . DA  A 1 3 ? 6.395  2.945  2.326  1.00 12.60 ? ? ? ? ? ? 3   DA  A "C1'" 1 
ATOM   50  N  N9    . DA  A 1 3 ? 7.593  2.582  1.573  1.00 13.61 ? ? ? ? ? ? 3   DA  A N9    1 
ATOM   51  C  C8    . DA  A 1 3 ? 8.890  2.629  1.995  1.00 11.90 ? ? ? ? ? ? 3   DA  A C8    1 
ATOM   52  N  N7    . DA  A 1 3 ? 9.744  2.243  1.088  1.00 13.07 ? ? ? ? ? ? 3   DA  A N7    1 
ATOM   53  C  C5    . DA  A 1 3 ? 8.952  1.932  0.007  1.00 11.80 ? ? ? ? ? ? 3   DA  A C5    1 
ATOM   54  C  C6    . DA  A 1 3 ? 9.221  1.474  -1.303 1.00 12.99 ? ? ? ? ? ? 3   DA  A C6    1 
ATOM   55  N  N6    . DA  A 1 3 ? 10.443 1.209  -1.752 1.00 13.19 ? ? ? ? ? ? 3   DA  A N6    1 
ATOM   56  N  N1    . DA  A 1 3 ? 8.182  1.268  -2.147 1.00 12.11 ? ? ? ? ? ? 3   DA  A N1    1 
ATOM   57  C  C2    . DA  A 1 3 ? 6.953  1.491  -1.737 1.00 9.82  ? ? ? ? ? ? 3   DA  A C2    1 
ATOM   58  N  N3    . DA  A 1 3 ? 6.579  1.950  -0.557 1.00 14.17 ? ? ? ? ? ? 3   DA  A N3    1 
ATOM   59  C  C4    . DA  A 1 3 ? 7.629  2.127  0.285  1.00 11.54 ? ? ? ? ? ? 3   DA  A C4    1 
ATOM   60  P  P     . DT  A 1 4 ? 2.284  2.571  4.016  1.00 18.41 ? ? ? ? ? ? 4   DT  A P     1 
ATOM   61  O  OP1   . DT  A 1 4 ? 2.300  1.081  4.081  1.00 16.24 ? ? ? ? ? ? 4   DT  A OP1   1 
ATOM   62  O  OP2   . DT  A 1 4 ? 1.470  3.281  3.038  1.00 20.91 ? ? ? ? ? ? 4   DT  A OP2   1 
ATOM   63  O  "O5'" . DT  A 1 4 ? 1.914  3.122  5.450  1.00 16.58 ? ? ? ? ? ? 4   DT  A "O5'" 1 
ATOM   64  C  "C5'" . DT  A 1 4 ? 1.583  4.468  5.738  1.00 15.45 ? ? ? ? ? ? 4   DT  A "C5'" 1 
ATOM   65  C  "C4'" . DT  A 1 4 ? 1.733  4.633  7.226  1.00 17.28 ? ? ? ? ? ? 4   DT  A "C4'" 1 
ATOM   66  O  "O4'" . DT  A 1 4 ? 1.110  3.492  7.870  1.00 17.47 ? ? ? ? ? ? 4   DT  A "O4'" 1 
ATOM   67  C  "C3'" . DT  A 1 4 ? 3.192  4.637  7.661  1.00 16.98 ? ? ? ? ? ? 4   DT  A "C3'" 1 
ATOM   68  O  "O3'" . DT  A 1 4 ? 3.389  5.603  8.626  1.00 17.37 ? ? ? ? ? ? 4   DT  A "O3'" 1 
ATOM   69  C  "C2'" . DT  A 1 4 ? 3.402  3.281  8.319  1.00 16.55 ? ? ? ? ? ? 4   DT  A "C2'" 1 
ATOM   70  C  "C1'" . DT  A 1 4 ? 1.993  2.928  8.785  1.00 14.13 ? ? ? ? ? ? 4   DT  A "C1'" 1 
ATOM   71  N  N1    . DT  A 1 4 ? 1.867  1.480  8.804  1.00 15.58 ? ? ? ? ? ? 4   DT  A N1    1 
ATOM   72  C  C2    . DT  A 1 4 ? 1.746  0.888  10.041 1.00 16.45 ? ? ? ? ? ? 4   DT  A C2    1 
ATOM   73  O  O2    . DT  A 1 4 ? 1.706  1.522  11.076 1.00 14.27 ? ? ? ? ? ? 4   DT  A O2    1 
ATOM   74  N  N3    . DT  A 1 4 ? 1.662  -0.480 10.035 1.00 16.85 ? ? ? ? ? ? 4   DT  A N3    1 
ATOM   75  C  C4    . DT  A 1 4 ? 1.706  -1.288 8.925  1.00 16.33 ? ? ? ? ? ? 4   DT  A C4    1 
ATOM   76  O  O4    . DT  A 1 4 ? 1.640  -2.493 9.070  1.00 17.42 ? ? ? ? ? ? 4   DT  A O4    1 
ATOM   77  C  C5    . DT  A 1 4 ? 1.833  -0.626 7.641  1.00 16.84 ? ? ? ? ? ? 4   DT  A C5    1 
ATOM   78  C  C7    . DT  A 1 4 ? 1.615  -1.389 6.359  1.00 17.93 ? ? ? ? ? ? 4   DT  A C7    1 
ATOM   79  C  C6    . DT  A 1 4 ? 1.916  0.720  7.641  1.00 15.82 ? ? ? ? ? ? 4   DT  A C6    1 
ATOM   80  P  P     . DG  A 1 5 ? 3.800  7.113  8.345  1.00 18.35 ? ? ? ? ? ? 5   DG  A P     1 
ATOM   81  O  OP1   . DG  A 1 5 ? 3.805  7.782  9.631  1.00 20.29 ? ? ? ? ? ? 5   DG  A OP1   1 
ATOM   82  O  OP2   . DG  A 1 5 ? 3.010  7.685  7.265  1.00 17.76 ? ? ? ? ? ? 5   DG  A OP2   1 
ATOM   83  O  "O5'" . DG  A 1 5 ? 5.319  6.960  7.916  1.00 19.97 ? ? ? ? ? ? 5   DG  A "O5'" 1 
ATOM   84  C  "C5'" . DG  A 1 5 ? 6.367  6.501  8.723  1.00 18.24 ? ? ? ? ? ? 5   DG  A "C5'" 1 
ATOM   85  C  "C4'" . DG  A 1 5 ? 7.655  7.062  8.155  1.00 16.97 ? ? ? ? ? ? 5   DG  A "C4'" 1 
ATOM   86  O  "O4'" . DG  A 1 5 ? 7.825  6.681  6.765  1.00 16.91 ? ? ? ? ? ? 5   DG  A "O4'" 1 
ATOM   87  C  "C3'" . DG  A 1 5 ? 7.812  8.579  8.167  1.00 16.06 ? ? ? ? ? ? 5   DG  A "C3'" 1 
ATOM   88  O  "O3'" . DG  A 1 5 ? 9.207  8.802  8.370  1.00 19.01 ? ? ? ? ? ? 5   DG  A "O3'" 1 
ATOM   89  C  "C2'" . DG  A 1 5 ? 7.340  9.024  6.784  1.00 15.46 ? ? ? ? ? ? 5   DG  A "C2'" 1 
ATOM   90  C  "C1'" . DG  A 1 5 ? 7.832  7.864  5.931  1.00 16.70 ? ? ? ? ? ? 5   DG  A "C1'" 1 
ATOM   91  N  N9    . DG  A 1 5 ? 6.962  7.497  4.811  1.00 15.66 ? ? ? ? ? ? 5   DG  A N9    1 
ATOM   92  C  C8    . DG  A 1 5 ? 5.595  7.493  4.838  1.00 13.93 ? ? ? ? ? ? 5   DG  A C8    1 
ATOM   93  N  N7    . DG  A 1 5 ? 5.057  7.070  3.755  1.00 13.92 ? ? ? ? ? ? 5   DG  A N7    1 
ATOM   94  C  C5    . DG  A 1 5 ? 6.124  6.769  2.918  1.00 15.35 ? ? ? ? ? ? 5   DG  A C5    1 
ATOM   95  C  C6    . DG  A 1 5 ? 6.153  6.259  1.581  1.00 15.43 ? ? ? ? ? ? 5   DG  A C6    1 
ATOM   96  O  O6    . DG  A 1 5 ? 5.230  5.959  0.830  1.00 15.70 ? ? ? ? ? ? 5   DG  A O6    1 
ATOM   97  N  N1    . DG  A 1 5 ? 7.446  6.086  1.097  1.00 13.62 ? ? ? ? ? ? 5   DG  A N1    1 
ATOM   98  C  C2    . DG  A 1 5 ? 8.555  6.353  1.838  1.00 15.95 ? ? ? ? ? ? 5   DG  A C2    1 
ATOM   99  N  N2    . DG  A 1 5 ? 9.686  6.119  1.184  1.00 15.88 ? ? ? ? ? ? 5   DG  A N2    1 
ATOM   100 N  N3    . DG  A 1 5 ? 8.567  6.825  3.085  1.00 14.50 ? ? ? ? ? ? 5   DG  A N3    1 
ATOM   101 C  C4    . DG  A 1 5 ? 7.316  7.012  3.566  1.00 15.93 ? ? ? ? ? ? 5   DG  A C4    1 
ATOM   102 P  P     . DC  A 1 6 ? 9.750  10.201 8.873  1.00 20.51 ? ? ? ? ? ? 6   DC  A P     1 
ATOM   103 O  OP1   . DC  A 1 6 ? 10.685 9.848  9.967  1.00 23.62 ? ? ? ? ? ? 6   DC  A OP1   1 
ATOM   104 O  OP2   . DC  A 1 6 ? 8.592  11.079 9.048  1.00 19.73 ? ? ? ? ? ? 6   DC  A OP2   1 
ATOM   105 O  "O5'" . DC  A 1 6 ? 10.523 10.797 7.616  1.00 23.28 ? ? ? ? ? ? 6   DC  A "O5'" 1 
ATOM   106 C  "C5'" . DC  A 1 6 ? 11.605 10.109 7.005  1.00 21.50 ? ? ? ? ? ? 6   DC  A "C5'" 1 
ATOM   107 C  "C4'" . DC  A 1 6 ? 11.707 10.460 5.544  1.00 20.07 ? ? ? ? ? ? 6   DC  A "C4'" 1 
ATOM   108 O  "O4'" . DC  A 1 6 ? 10.572 9.928  4.828  1.00 19.93 ? ? ? ? ? ? 6   DC  A "O4'" 1 
ATOM   109 C  "C3'" . DC  A 1 6 ? 11.698 11.959 5.298  1.00 21.04 ? ? ? ? ? ? 6   DC  A "C3'" 1 
ATOM   110 O  "O3'" . DC  A 1 6 ? 12.904 12.312 4.654  1.00 22.52 ? ? ? ? ? ? 6   DC  A "O3'" 1 
ATOM   111 C  "C2'" . DC  A 1 6 ? 10.515 12.223 4.369  1.00 20.33 ? ? ? ? ? ? 6   DC  A "C2'" 1 
ATOM   112 C  "C1'" . DC  A 1 6 ? 10.308 10.833 3.767  1.00 19.56 ? ? ? ? ? ? 6   DC  A "C1'" 1 
ATOM   113 N  N1    . DC  A 1 6 ? 8.941  10.569 3.206  1.00 18.82 ? ? ? ? ? ? 6   DC  A N1    1 
ATOM   114 C  C2    . DC  A 1 6 ? 8.797  10.012 1.906  1.00 15.98 ? ? ? ? ? ? 6   DC  A C2    1 
ATOM   115 O  O2    . DC  A 1 6 ? 9.792  9.723  1.232  1.00 16.79 ? ? ? ? ? ? 6   DC  A O2    1 
ATOM   116 N  N3    . DC  A 1 6 ? 7.548  9.781  1.439  1.00 14.67 ? ? ? ? ? ? 6   DC  A N3    1 
ATOM   117 C  C4    . DC  A 1 6 ? 6.481  10.098 2.179  1.00 14.47 ? ? ? ? ? ? 6   DC  A C4    1 
ATOM   118 N  N4    . DC  A 1 6 ? 5.282  9.838  1.677  1.00 15.78 ? ? ? ? ? ? 6   DC  A N4    1 
ATOM   119 C  C5    . DC  A 1 6 ? 6.595  10.682 3.480  1.00 13.49 ? ? ? ? ? ? 6   DC  A C5    1 
ATOM   120 C  C6    . DC  A 1 6 ? 7.834  10.903 3.950  1.00 15.28 ? ? ? ? ? ? 6   DC  A C6    1 
ATOM   121 P  P     . DT  A 1 7 ? 13.762 13.567 5.110  1.00 22.55 ? ? ? ? ? ? 7   DT  A P     1 
ATOM   122 O  OP1   . DT  A 1 7 ? 13.613 13.686 6.570  1.00 23.47 ? ? ? ? ? ? 7   DT  A OP1   1 
ATOM   123 O  OP2   . DT  A 1 7 ? 13.503 14.643 4.166  1.00 22.37 ? ? ? ? ? ? 7   DT  A OP2   1 
ATOM   124 O  "O5'" . DT  A 1 7 ? 15.233 13.036 4.871  1.00 23.50 ? ? ? ? ? ? 7   DT  A "O5'" 1 
ATOM   125 C  "C5'" . DT  A 1 7 ? 15.762 11.908 5.528  1.00 23.47 ? ? ? ? ? ? 7   DT  A "C5'" 1 
ATOM   126 C  "C4'" . DT  A 1 7 ? 16.977 11.482 4.739  1.00 26.37 ? ? ? ? ? ? 7   DT  A "C4'" 1 
ATOM   127 O  "O4'" . DT  A 1 7 ? 16.519 11.165 3.421  1.00 27.53 ? ? ? ? ? ? 7   DT  A "O4'" 1 
ATOM   128 C  "C3'" . DT  A 1 7 ? 17.993 12.592 4.519  1.00 28.72 ? ? ? ? ? ? 7   DT  A "C3'" 1 
ATOM   129 O  "O3'" . DT  A 1 7 ? 19.075 12.343 5.391  1.00 32.12 ? ? ? ? ? ? 7   DT  A "O3'" 1 
ATOM   130 C  "C2'" . DT  A 1 7 ? 18.403 12.519 3.047  1.00 28.39 ? ? ? ? ? ? 7   DT  A "C2'" 1 
ATOM   131 C  "C1'" . DT  A 1 7 ? 17.404 11.563 2.403  1.00 25.75 ? ? ? ? ? ? 7   DT  A "C1'" 1 
ATOM   132 N  N1    . DT  A 1 7 ? 16.529 12.112 1.334  1.00 24.91 ? ? ? ? ? ? 7   DT  A N1    1 
ATOM   133 C  C2    . DT  A 1 7 ? 17.060 12.595 0.151  1.00 25.24 ? ? ? ? ? ? 7   DT  A C2    1 
ATOM   134 O  O2    . DT  A 1 7 ? 18.249 12.619 -0.090 1.00 28.17 ? ? ? ? ? ? 7   DT  A O2    1 
ATOM   135 N  N3    . DT  A 1 7 ? 16.158 13.088 -0.758 1.00 23.54 ? ? ? ? ? ? 7   DT  A N3    1 
ATOM   136 C  C4    . DT  A 1 7 ? 14.786 13.119 -0.612 1.00 25.57 ? ? ? ? ? ? 7   DT  A C4    1 
ATOM   137 O  O4    . DT  A 1 7 ? 14.061 13.573 -1.490 1.00 25.81 ? ? ? ? ? ? 7   DT  A O4    1 
ATOM   138 C  C5    . DT  A 1 7 ? 14.269 12.596 0.645  1.00 25.17 ? ? ? ? ? ? 7   DT  A C5    1 
ATOM   139 C  C7    . DT  A 1 7 ? 12.855 12.866 1.055  1.00 24.55 ? ? ? ? ? ? 7   DT  A C7    1 
ATOM   140 C  C6    . DT  A 1 7 ? 15.158 12.116 1.530  1.00 25.25 ? ? ? ? ? ? 7   DT  A C6    1 
HETATM 141 K  K     . K   B 2 . ? 11.541 7.907  12.005 0.50 33.81 ? ? ? ? ? ? 8   K   A K     1 
HETATM 142 CA CA    . CA  C 3 . ? -0.003 0.067  0.000  0.25 18.66 ? ? ? ? ? ? 9   CA  A CA    1 
HETATM 143 O  O     . HOH D 4 . ? 11.371 0.000  4.251  0.50 8.15  ? ? ? ? ? ? 101 HOH A O     1 
HETATM 144 O  O     . HOH D 4 . ? 8.457  7.809  11.459 1.00 17.38 ? ? ? ? ? ? 102 HOH A O     1 
HETATM 145 O  O     . HOH D 4 . ? 0.000  0.000  -2.465 0.50 10.77 ? ? ? ? ? ? 103 HOH A O     1 
HETATM 146 O  O     . HOH D 4 . ? 7.920  -1.011 4.909  1.00 11.65 ? ? ? ? ? ? 104 HOH A O     1 
HETATM 147 O  O     . HOH D 4 . ? 3.762  2.275  -0.367 1.00 13.37 ? ? ? ? ? ? 105 HOH A O     1 
HETATM 148 O  O     . HOH D 4 . ? 0.031  2.275  0.020  0.50 16.89 ? ? ? ? ? ? 106 HOH A O     1 
HETATM 149 O  O     . HOH D 4 . ? 2.610  -0.242 -0.296 0.50 18.18 ? ? ? ? ? ? 107 HOH A O     1 
HETATM 150 O  O     . HOH D 4 . ? 5.206  -1.217 5.464  1.00 18.64 ? ? ? ? ? ? 108 HOH A O     1 
HETATM 151 O  O     . HOH D 4 . ? 3.713  -0.908 3.673  1.00 21.27 ? ? ? ? ? ? 109 HOH A O     1 
HETATM 152 O  O     . HOH D 4 . ? 11.309 2.122  9.432  1.00 20.13 ? ? ? ? ? ? 110 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 DG A . n 
A 1 2 DC 2 2 2 DC DC A . n 
A 1 3 DA 3 3 3 DA DA A . n 
A 1 4 DT 4 4 4 DT DT A . n 
A 1 5 DG 5 5 5 DG DG A . n 
A 1 6 DC 6 6 6 DC DC A . n 
A 1 7 DT 7 7 7 DT DT A . n 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   tetrameric 
_pdbx_struct_assembly.oligomeric_count     4 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3,4 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 2270 ? 
1 'SSA (A^2)'  4700 ? 
1 MORE         -26  ? 
# 
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' 2_655 -x+1,-y,z   -1.0000000000 0.0000000000 0.0000000000 22.7420000000 0.0000000000 -1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000  
3 'crystal symmetry operation' 3_656 -x+1,y,-z+1 -1.0000000000 0.0000000000 0.0000000000 22.7420000000 0.0000000000 1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 23.6690000000 
4 'crystal symmetry operation' 4_556 x,-y,-z+1   1.0000000000  0.0000000000 0.0000000000 0.0000000000  0.0000000000 -1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 23.6690000000 
# 
loop_
_ndb_struct_conf_na.entry_id 
_ndb_struct_conf_na.feature 
3T86 'double helix' 
3T86 'hairpin loop' 
# 
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 6 1_555 -3.325 8.461 -0.381 -2.483 176.090 1 A_DG1:DC6_A A 1 ? A 6 ? ? ? 
1 A DC 2 1_555 A DG 5 1_555 3.122  8.528 -0.218 10.990 177.253 2 A_DC2:DG5_A A 2 ? A 5 ? ? ? 
# 
_ndb_struct_na_base_pair_step.model_number        1 
_ndb_struct_na_base_pair_step.i_label_asym_id_1   A 
_ndb_struct_na_base_pair_step.i_label_comp_id_1   DG 
_ndb_struct_na_base_pair_step.i_label_seq_id_1    1 
_ndb_struct_na_base_pair_step.i_symmetry_1        1_555 
_ndb_struct_na_base_pair_step.j_label_asym_id_1   A 
_ndb_struct_na_base_pair_step.j_label_comp_id_1   DC 
_ndb_struct_na_base_pair_step.j_label_seq_id_1    6 
_ndb_struct_na_base_pair_step.j_symmetry_1        1_555 
_ndb_struct_na_base_pair_step.i_label_asym_id_2   A 
_ndb_struct_na_base_pair_step.i_label_comp_id_2   DC 
_ndb_struct_na_base_pair_step.i_label_seq_id_2    2 
_ndb_struct_na_base_pair_step.i_symmetry_2        1_555 
_ndb_struct_na_base_pair_step.j_label_asym_id_2   A 
_ndb_struct_na_base_pair_step.j_label_comp_id_2   DG 
_ndb_struct_na_base_pair_step.j_label_seq_id_2    5 
_ndb_struct_na_base_pair_step.j_symmetry_2        1_555 
_ndb_struct_na_base_pair_step.shift               0.247 
_ndb_struct_na_base_pair_step.slide               0.430 
_ndb_struct_na_base_pair_step.rise                3.025 
_ndb_struct_na_base_pair_step.tilt                -2.437 
_ndb_struct_na_base_pair_step.roll                3.785 
_ndb_struct_na_base_pair_step.twist               29.175 
_ndb_struct_na_base_pair_step.x_displacement      0.094 
_ndb_struct_na_base_pair_step.y_displacement      -0.967 
_ndb_struct_na_base_pair_step.helical_rise        3.025 
_ndb_struct_na_base_pair_step.inclination         7.458 
_ndb_struct_na_base_pair_step.tip                 4.803 
_ndb_struct_na_base_pair_step.helical_twist       29.513 
_ndb_struct_na_base_pair_step.step_number         1 
_ndb_struct_na_base_pair_step.step_name           AA_DG1DC2:DG5DC6_AA 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1    A 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1     1 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1    ? 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1    A 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1     6 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1    ? 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2    A 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2     2 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2    ? 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2    A 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2     5 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2    ? 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
CrystalClear 'data collection' .   ? 1 
XFIT         'model building'  .   ? 2 
REFMAC       refinement        5.0 ? 3 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
3T86 2012-06-13 4 0000 'Initial release'  'Initial release' 
3T86 2014-11-12 4 0001 'Entry authorship' ?                 
# 
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 K   1  8   8   K   K   A . 
C 3 CA  1  9   9   CA  CA  A . 
D 4 HOH 1  101 101 HOH HOH A . 
D 4 HOH 2  102 102 HOH HOH A . 
D 4 HOH 3  103 103 HOH HOH A . 
D 4 HOH 4  104 104 HOH HOH A . 
D 4 HOH 5  105 105 HOH HOH A . 
D 4 HOH 6  106 106 HOH HOH A . 
D 4 HOH 7  107 107 HOH HOH A . 
D 4 HOH 8  108 108 HOH HOH A . 
D 4 HOH 9  109 109 HOH HOH A . 
D 4 HOH 10 110 110 HOH HOH A . 
# 
_pdbx_validate_rmsd_bond.id               1 
_pdbx_validate_rmsd_bond.PDB_model_num    1 
_pdbx_validate_rmsd_bond.auth_atom_id_1   "O3'" 
_pdbx_validate_rmsd_bond.auth_asym_id_1   A 
_pdbx_validate_rmsd_bond.auth_comp_id_1   DT 
_pdbx_validate_rmsd_bond.auth_seq_id_1    4 
_pdbx_validate_rmsd_bond.PDB_ins_code_1   ? 
_pdbx_validate_rmsd_bond.label_alt_id_1   ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2   "C3'" 
_pdbx_validate_rmsd_bond.auth_asym_id_2   A 
_pdbx_validate_rmsd_bond.auth_comp_id_2   DT 
_pdbx_validate_rmsd_bond.auth_seq_id_2    4 
_pdbx_validate_rmsd_bond.PDB_ins_code_2   ? 
_pdbx_validate_rmsd_bond.label_alt_id_2   ? 
_pdbx_validate_rmsd_bond.bond_deviation   -0.039 
# 
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 ? ? -7.4 
2 1 "O4'" A DT 4 ? ? "C1'" A DT 4 ? ? N1 A DT 4 ? ? 2.6  
3 1 "O4'" A DG 5 ? ? "C1'" A DG 5 ? ? N9 A DG 5 ? ? -4.5 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'POTASSIUM ION' K   
3 'CALCIUM ION'   CA  
4 water           HOH 
# 
