data_1O55
# 
_entry.id   1O55 
# 
_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  1O55       
NDB  UD0038     
RCSB RCSB001815 
# 
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 2003-08-26 2003-08-20 ? 1O55 0 
2 2003-09-02 ?          ? 1O55 1 
3 2009-02-24 ?          ? 1O55 1 
# 
loop_
_database_PDB_rev_record.rev_num 
_database_PDB_rev_record.type 
_database_PDB_rev_record.details 
2 HEADER ? 
2 AUTHOR ? 
2 REMARK ? 
2 SEQRES ? 
2 MASTER ? 
3 VERSN  ? 
# 
_pdbx_database_PDB_obs_spr.id               SPRSDE 
_pdbx_database_PDB_obs_spr.pdb_id           1O55 
_pdbx_database_PDB_obs_spr.replace_pdb_id   415d 
_pdbx_database_PDB_obs_spr.date             2003-08-26 
# 
_pdbx_database_status.status_code      REL 
_pdbx_database_status.entry_id         1O55 
_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 
'Gao, Y.G.'           1 
'Robinson, H.'        2 
'Guan, Y.'            3 
'Liaw, Y.C.'          4 
'van Boom, J.H.'      5 
'van der Marel, G.A.' 6 
'Wang, A.H.'          7 
# 
_citation.id                        primary 
_citation.title                     'Molecular structure of two crystal forms of cyclic triadenylic acid at 1A resolution.' 
_citation.journal_abbrev            J.Biomol.Struct.Dyn. 
_citation.journal_volume            16 
_citation.page_first                69 
_citation.page_last                 76 
_citation.year                      1998 
_citation.journal_id_ASTM           JBSDD6 
_citation.country                   US 
_citation.journal_id_ISSN           0739-1102 
_citation.journal_id_CSD            0646 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   9745896 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Gao, Y.G.'           1 
primary 'Robinson, H.'        2 
primary 'Guan, Y.'            3 
primary 'Liaw, Y.C.'          4 
primary 'van Boom, J.H.'      5 
primary 'van der Marel, G.A.' 6 
primary 'Wang, A.H.'          7 
# 
_cell.entry_id           1O55 
_cell.length_a           22.637 
_cell.length_b           22.637 
_cell.length_c           44.581 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        120.00 
_cell.Z_PDB              36 
_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                         1O55 
_symmetry.space_group_name_H-M             'H 3 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     hexagonal 
_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 
;DNA (5'-CD(*AP*AP*AP)-3')
;
894.670 2  ? ? ? ? 
2 non-polymer syn 'COBALT (II) ION'           58.933  1  ? ? ? ? 
3 water       nat water                       18.015  23 ? ? ? ? 
# 
loop_
_entity_keywords.entity_id 
_entity_keywords.text 
1 'CYCLIC TRINUCLEOTIDE' 
2 ?                      
3 ?                      
# 
_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       '(DA)(DA)(DA)' 
_entity_poly.pdbx_seq_one_letter_code_can   AAA 
_entity_poly.pdbx_strand_id                 A,B 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1 DA n 
1 2 DA n 
1 3 DA 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                Synthetic 
# 
_struct_ref.id                  1 
_struct_ref.entity_id           1 
_struct_ref.db_name             PDB 
_struct_ref.db_code             1O55 
_struct_ref.pdbx_db_accession   1O55 
_struct_ref.biol_id             . 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 1O55 A 1 ? 3 ? 1O55 2 4 2 4 
2 1 1O55 B 1 ? 3 ? 1O55 5 7 5 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 
DA  'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.224 
CO  NON-POLYMER   . 'COBALT (II) ION'                    ? 'CO 2'            58.933  
HOH NON-POLYMER   . WATER                                ? 'H2 O'            18.015  
# 
_exptl.entry_id          1O55 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      1.67 
_exptl_crystal.density_percent_sol   26.0000 
_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            298.00 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pH              4.50 
_exptl_crystal_grow.pdbx_details    'pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 298.00K' 
_exptl_crystal_grow.pdbx_pH_range   . 
# 
loop_
_exptl_crystal_grow_comp.crystal_id 
_exptl_crystal_grow_comp.id 
_exptl_crystal_grow_comp.sol_id 
_exptl_crystal_grow_comp.name 
_exptl_crystal_grow_comp.volume 
_exptl_crystal_grow_comp.conc 
_exptl_crystal_grow_comp.details 
1 1 1 COCL3   ? ? ? 
1 2 1 GLYCINE ? ? ? 
1 3 1 MPD     ? ? ? 
1 4 2 MPD     ? ? ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           123.00 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               'IMAGE PLATE' 
_diffrn_detector.type                   RIGAKU 
_diffrn_detector.pdbx_collection_date   1997-12-29 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   . 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.type                        'RIGAKU RU200' 
_diffrn_source.pdbx_synchrotron_site       ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        ? 
# 
_reflns.entry_id                     1O55 
_reflns.observed_criterion_sigma_I   0.000 
_reflns.observed_criterion_sigma_F   0.000 
_reflns.d_resolution_low             10.000 
_reflns.d_resolution_high            1.040 
_reflns.number_obs                   2198 
_reflns.number_all                   2198 
_reflns.percent_possible_obs         95.400 
_reflns.pdbx_Rmerge_I_obs            0.044 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        ? 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              3.500 
_reflns.R_free_details               ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_computing.entry_id                           1O55 
_computing.pdbx_data_reduction_ii             BIOTEX 
_computing.pdbx_data_reduction_ds             BIOTEX 
_computing.data_collection                    ? 
_computing.structure_solution                 SHELXS 
_computing.structure_refinement               SHELXL-97 
_computing.pdbx_structure_refinement_method   ? 
# 
_refine.entry_id                               1O55 
_refine.ls_number_reflns_obs                   2198 
_refine.ls_number_reflns_all                   2198 
_refine.pdbx_ls_sigma_I                        0.00 
_refine.pdbx_ls_sigma_F                        0.00 
_refine.pdbx_data_cutoff_high_absF             ? 
_refine.pdbx_data_cutoff_low_absF              ? 
_refine.pdbx_data_cutoff_high_rms_absF         ? 
_refine.ls_d_res_low                           10.000 
_refine.ls_d_res_high                          1.040 
_refine.ls_percent_reflns_obs                  97.200 
_refine.ls_R_factor_obs                        0.138 
_refine.ls_R_factor_all                        0.144 
_refine.ls_R_factor_R_work                     ? 
_refine.ls_R_factor_R_free                     ? 
_refine.ls_R_factor_R_free_error               ? 
_refine.ls_R_factor_R_free_error_details       ? 
_refine.ls_percent_reflns_R_free               ? 
_refine.ls_number_reflns_R_free                ? 
_refine.ls_number_parameters                   ? 
_refine.ls_number_restraints                   ? 
_refine.occupancy_min                          ? 
_refine.occupancy_max                          ? 
_refine.B_iso_mean                             ? 
_refine.aniso_B[1][1]                          ? 
_refine.aniso_B[2][2]                          ? 
_refine.aniso_B[3][3]                          ? 
_refine.aniso_B[1][2]                          ? 
_refine.aniso_B[1][3]                          ? 
_refine.aniso_B[2][3]                          ? 
_refine.solvent_model_details                  ? 
_refine.solvent_model_param_ksol               ? 
_refine.solvent_model_param_bsol               ? 
_refine.pdbx_ls_cross_valid_method             ? 
_refine.details                                ? 
_refine.pdbx_starting_model                    ? 
_refine.pdbx_method_to_determine_struct        ? 
_refine.pdbx_isotropic_thermal_model           ? 
_refine.pdbx_stereochemistry_target_values     ? 
_refine.pdbx_stereochem_target_val_spec_case   ? 
_refine.pdbx_R_Free_selection_details          ? 
_refine.pdbx_overall_ESU_R                     ? 
_refine.pdbx_overall_ESU_R_Free                ? 
_refine.overall_SU_ML                          ? 
_refine.overall_SU_B                           ? 
_refine.ls_redundancy_reflns_obs               ? 
_refine.correlation_coeff_Fo_to_Fc             ? 
_refine.correlation_coeff_Fo_to_Fc_free        ? 
_refine.pdbx_solvent_vdw_probe_radii           ? 
_refine.pdbx_solvent_ion_probe_radii           ? 
_refine.pdbx_solvent_shrinkage_radii           ? 
_refine.overall_SU_R_Cruickshank_DPI           ? 
_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_refine_id                         'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                         1 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        0 
_refine_hist.pdbx_number_atoms_nucleic_acid   42 
_refine_hist.pdbx_number_atoms_ligand         1 
_refine_hist.number_atoms_solvent             23 
_refine_hist.number_atoms_total               66 
_refine_hist.d_res_high                       1.040 
_refine_hist.d_res_low                        10.000 
# 
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 
s_bond_d               0.016 ? ? ? 'X-RAY DIFFRACTION' 
s_angle_d              0.031 ? ? ? 'X-RAY DIFFRACTION' 
s_similar_dist         ?     ? ? ? 'X-RAY DIFFRACTION' 
s_from_restr_planes    ?     ? ? ? 'X-RAY DIFFRACTION' 
s_zero_chiral_vol      ?     ? ? ? 'X-RAY DIFFRACTION' 
s_non_zero_chiral_vol  ?     ? ? ? 'X-RAY DIFFRACTION' 
s_anti_bump_dis_restr  ?     ? ? ? 'X-RAY DIFFRACTION' 
s_rigid_bond_adp_cmpnt ?     ? ? ? 'X-RAY DIFFRACTION' 
s_similar_adp_cmpnt    ?     ? ? ? 'X-RAY DIFFRACTION' 
s_approx_iso_adps      ?     ? ? ? 'X-RAY DIFFRACTION' 
# 
_pdbx_refine.entry_id                                    1O55 
_pdbx_refine.R_factor_all_no_cutoff                      ? 
_pdbx_refine.R_factor_obs_no_cutoff                      ? 
_pdbx_refine.free_R_factor_no_cutoff                     ? 
_pdbx_refine.free_R_val_test_set_size_perc_no_cutoff     ? 
_pdbx_refine.free_R_val_test_set_ct_no_cutoff            ? 
_pdbx_refine.R_factor_all_4sig_cutoff                    0.138 
_pdbx_refine.R_factor_obs_4sig_cutoff                    ? 
_pdbx_refine.free_R_factor_4sig_cutoff                   ? 
_pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff   ? 
_pdbx_refine.free_R_val_test_set_ct_4sig_cutoff          ? 
_pdbx_refine.number_reflns_obs_4sig_cutoff               ? 
_pdbx_refine.number_reflns_obs_no_cutoff                 ? 
_pdbx_refine.pdbx_refine_id                              'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  1O55 
_struct.title                     'MOLECULAR STRUCTURE OF TWO CRYSTAL FORMS OF CYCLIC TRIADENYLIC ACID AT 1 ANGSTROM RESOLUTION' 
_struct.pdbx_descriptor           "5'-CD(*AP*AP*AP)-3'" 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1O55 
_struct_keywords.pdbx_keywords   DNA 
_struct_keywords.text            'CYCLIC TRINUCLEOTIDE, 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 1 ? 
C N N 2 ? 
D N N 3 ? 
E N N 3 ? 
# 
loop_
_struct_biol.id 
_struct_biol.pdbx_parent_biol_id 
_struct_biol.details 
1 ? ? 
2 ? ? 
# 
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 ? C CO . CO ? ? ? 1_555 E HOH . O ? ? B CO 8 B HOH 123 1_555 ? ? ? ? ? ? ? 2.068 ? 
metalc2 metalc ? C CO . CO ? ? ? 1_555 E HOH . O ? ? B CO 8 B HOH 119 1_555 ? ? ? ? ? ? ? 2.133 ? 
metalc3 metalc ? C CO . CO ? ? ? 1_555 D HOH . O ? ? B CO 8 A HOH 122 1_555 ? ? ? ? ? ? ? 2.070 ? 
metalc4 metalc ? C CO . CO ? ? ? 1_555 E HOH . O ? ? B CO 8 B HOH 120 1_555 ? ? ? ? ? ? ? 2.074 ? 
metalc5 metalc ? C CO . CO ? ? ? 1_555 E HOH . O ? ? B CO 8 B HOH 118 1_555 ? ? ? ? ? ? ? 1.989 ? 
metalc6 metalc ? C CO . CO ? ? ? 1_555 D HOH . O ? ? B CO 8 A HOH 121 1_555 ? ? ? ? ? ? ? 2.101 ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_struct_site.id                   AC1 
_struct_site.details              'BINDING SITE FOR RESIDUE CO B 8' 
_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 6 HOH D . ? HOH A 121 . . 1_555 ? 
2 AC1 6 HOH D . ? HOH A 122 . . 1_555 ? 
3 AC1 6 HOH E . ? HOH B 118 . . 1_555 ? 
4 AC1 6 HOH E . ? HOH B 119 . . 1_555 ? 
5 AC1 6 HOH E . ? HOH B 120 . . 1_555 ? 
6 AC1 6 HOH E . ? HOH B 123 . . 1_555 ? 
# 
_database_PDB_matrix.entry_id          1O55 
_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                    1O55 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.044175 
_atom_sites.fract_transf_matrix[1][2]   0.025505 
_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]   0.051009 
_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]   0.022431 
_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 
P  
O  
C  
N  
CO 
# 
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  P  P     . DA  A 1 1 ? -2.673  15.931 2.686  1.00 8.71  ? ? ? ? ? ? 2   DA  A P     1 
ATOM   2  O  OP1   . DA  A 1 1 ? -3.818  16.500 3.449  1.00 10.67 ? ? ? ? ? ? 2   DA  A OP1   1 
ATOM   3  O  OP2   . DA  A 1 1 ? -2.651  16.207 1.202  1.00 10.10 ? ? ? ? ? ? 2   DA  A OP2   1 
ATOM   4  O  "O5'" . DA  A 1 1 ? -2.681  14.391 2.826  1.00 7.27  ? ? ? ? ? ? 2   DA  A "O5'" 1 
ATOM   5  C  "C5'" . DA  A 1 1 ? -2.535  13.860 4.152  1.00 8.93  ? ? ? ? ? ? 2   DA  A "C5'" 1 
ATOM   6  C  "C4'" . DA  A 1 1 ? -2.988  12.420 4.133  1.00 9.96  ? ? ? ? ? ? 2   DA  A "C4'" 1 
ATOM   7  O  "O4'" . DA  A 1 1 ? -4.433  12.456 4.078  1.00 10.18 ? ? ? ? ? ? 2   DA  A "O4'" 1 
ATOM   8  C  "C3'" . DA  A 1 1 ? -2.480  11.585 2.936  1.00 7.06  ? ? ? ? ? ? 2   DA  A "C3'" 1 
ATOM   9  O  "O3'" . DA  A 1 1 ? -2.259  10.226 3.409  1.00 9.04  ? ? ? ? ? ? 2   DA  A "O3'" 1 
ATOM   10 C  "C2'" . DA  A 1 1 ? -3.700  11.581 2.032  1.00 7.56  ? ? ? ? ? ? 2   DA  A "C2'" 1 
ATOM   11 C  "C1'" . DA  A 1 1 ? -4.836  11.568 3.013  1.00 9.44  ? ? ? ? ? ? 2   DA  A "C1'" 1 
ATOM   12 N  N9    . DA  A 1 1 ? -6.055  12.116 2.463  1.00 12.00 ? ? ? ? ? ? 2   DA  A N9    1 
ATOM   13 C  C8    . DA  A 1 1 ? -6.444  13.437 2.464  1.00 10.73 ? ? ? ? ? ? 2   DA  A C8    1 
ATOM   14 N  N7    . DA  A 1 1 ? -7.630  13.567 1.906  1.00 12.95 ? ? ? ? ? ? 2   DA  A N7    1 
ATOM   15 C  C5    . DA  A 1 1 ? -8.048  12.257 1.610  1.00 20.27 ? ? ? ? ? ? 2   DA  A C5    1 
ATOM   16 C  C6    . DA  A 1 1 ? -9.237  11.718 1.040  1.00 9.40  ? ? ? ? ? ? 2   DA  A C6    1 
ATOM   17 N  N6    . DA  A 1 1 ? -10.256 12.531 0.731  1.00 23.48 ? ? ? ? ? ? 2   DA  A N6    1 
ATOM   18 N  N1    . DA  A 1 1 ? -9.313  10.383 0.871  1.00 12.79 ? ? ? ? ? ? 2   DA  A N1    1 
ATOM   19 C  C2    . DA  A 1 1 ? -8.264  9.611  1.247  1.00 11.95 ? ? ? ? ? ? 2   DA  A C2    1 
ATOM   20 N  N3    . DA  A 1 1 ? -7.106  10.006 1.789  1.00 9.28  ? ? ? ? ? ? 2   DA  A N3    1 
ATOM   21 C  C4    . DA  A 1 1 ? -7.069  11.338 1.902  1.00 9.20  ? ? ? ? ? ? 2   DA  A C4    1 
ATOM   22 P  P     . DA  B 1 1 ? -1.786  3.601  5.863  1.00 7.32  ? ? ? ? ? ? 5   DA  B P     1 
ATOM   23 O  OP1   . DA  B 1 1 ? -2.580  4.507  6.733  1.00 8.81  ? ? ? ? ? ? 5   DA  B OP1   1 
ATOM   24 O  OP2   . DA  B 1 1 ? -1.802  3.860  4.388  1.00 9.02  ? ? ? ? ? ? 5   DA  B OP2   1 
ATOM   25 O  "O5'" . DA  B 1 1 ? -2.198  2.076  6.022  1.00 7.33  ? ? ? ? ? ? 5   DA  B "O5'" 1 
ATOM   26 C  "C5'" . DA  B 1 1 ? -2.270  1.424  7.335  1.00 6.64  ? ? ? ? ? ? 5   DA  B "C5'" 1 
ATOM   27 C  "C4'" . DA  B 1 1 ? -3.116  0.182  7.225  1.00 7.03  ? ? ? ? ? ? 5   DA  B "C4'" 1 
ATOM   28 O  "O4'" . DA  B 1 1 ? -4.497  0.579  7.092  1.00 7.00  ? ? ? ? ? ? 5   DA  B "O4'" 1 
ATOM   29 C  "C3'" . DA  B 1 1 ? -2.812  -0.717 6.053  1.00 6.39  ? ? ? ? ? ? 5   DA  B "C3'" 1 
ATOM   30 O  "O3'" . DA  B 1 1 ? -2.965  -2.084 6.561  1.00 7.31  ? ? ? ? ? ? 5   DA  B "O3'" 1 
ATOM   31 C  "C2'" . DA  B 1 1 ? -3.888  -0.436 5.041  1.00 8.37  ? ? ? ? ? ? 5   DA  B "C2'" 1 
ATOM   32 C  "C1'" . DA  B 1 1 ? -5.034  0.030  5.895  1.00 7.66  ? ? ? ? ? ? 5   DA  B "C1'" 1 
ATOM   33 N  N9    . DA  B 1 1 ? -5.892  1.018  5.249  1.00 7.20  ? ? ? ? ? ? 5   DA  B N9    1 
ATOM   34 C  C8    . DA  B 1 1 ? -5.465  2.153  4.606  1.00 8.40  ? ? ? ? ? ? 5   DA  B C8    1 
ATOM   35 N  N7    . DA  B 1 1 ? -6.460  2.933  4.270  1.00 8.44  ? ? ? ? ? ? 5   DA  B N7    1 
ATOM   36 C  C5    . DA  B 1 1 ? -7.613  2.282  4.677  1.00 7.36  ? ? ? ? ? ? 5   DA  B C5    1 
ATOM   37 C  C6    . DA  B 1 1 ? -8.957  2.569  4.553  1.00 6.27  ? ? ? ? ? ? 5   DA  B C6    1 
ATOM   38 N  N6    . DA  B 1 1 ? -9.416  3.715  4.006  1.00 7.57  ? ? ? ? ? ? 5   DA  B N6    1 
ATOM   39 N  N1    . DA  B 1 1 ? -9.843  1.678  5.019  1.00 6.39  ? ? ? ? ? ? 5   DA  B N1    1 
ATOM   40 C  C2    . DA  B 1 1 ? -9.350  0.527  5.551  1.00 8.05  ? ? ? ? ? ? 5   DA  B C2    1 
ATOM   41 N  N3    . DA  B 1 1 ? -8.116  0.099  5.722  1.00 5.91  ? ? ? ? ? ? 5   DA  B N3    1 
ATOM   42 C  C4    . DA  B 1 1 ? -7.262  1.065  5.277  1.00 7.58  ? ? ? ? ? ? 5   DA  B C4    1 
HETATM 43 CO CO    . CO  C 2 . ? -5.050  6.966  4.083  1.00 15.61 ? ? ? ? ? ? 8   CO  B CO    1 
HETATM 44 O  O     . HOH D 3 . ? 0.000   13.069 0.654  0.33 13.17 ? ? ? ? ? ? 103 HOH A O     1 
HETATM 45 O  O     . HOH D 3 . ? -1.831  14.584 -0.716 1.00 13.18 ? ? ? ? ? ? 104 HOH A O     1 
HETATM 46 O  O     . HOH D 3 . ? -4.212  8.817  7.443  1.00 28.37 ? ? ? ? ? ? 108 HOH A O     1 
HETATM 47 O  O     . HOH D 3 . ? -10.284 15.425 1.025  1.00 47.55 ? ? ? ? ? ? 109 HOH A O     1 
HETATM 48 O  O     . HOH D 3 . ? -6.575  17.108 2.483  1.00 27.85 ? ? ? ? ? ? 112 HOH A O     1 
HETATM 49 O  O     . HOH D 3 . ? -12.807 12.290 0.507  0.50 15.55 ? ? ? ? ? ? 113 HOH A O     1 
HETATM 50 O  O     . HOH D 3 . ? -2.772  18.545 0.209  0.50 14.79 ? ? ? ? ? ? 114 HOH A O     1 
HETATM 51 O  O     . HOH D 3 . ? -1.260  10.887 7.430  0.25 13.33 ? ? ? ? ? ? 117 HOH A O     1 
HETATM 52 O  O     . HOH D 3 . ? -4.166  8.681  4.914  1.00 12.04 ? ? ? ? ? ? 121 HOH A O     1 
HETATM 53 O  O     . HOH D 3 . ? -5.234  7.988  2.292  1.00 9.54  ? ? ? ? ? ? 122 HOH A O     1 
HETATM 54 O  O     . HOH E 3 . ? -11.319 6.535  4.942  0.33 7.66  ? ? ? ? ? ? 101 HOH B O     1 
HETATM 55 O  O     . HOH E 3 . ? -8.936  6.711  3.282  1.00 9.43  ? ? ? ? ? ? 102 HOH B O     1 
HETATM 56 O  O     . HOH E 3 . ? -8.692  -1.985 7.430  0.25 6.90  ? ? ? ? ? ? 105 HOH B O     1 
HETATM 57 O  O     . HOH E 3 . ? 0.000   0.000  3.726  0.33 13.05 ? ? ? ? ? ? 106 HOH B O     1 
HETATM 58 O  O     . HOH E 3 . ? -2.865  4.962  0.000  0.50 19.28 ? ? ? ? ? ? 107 HOH B O     1 
HETATM 59 O  O     . HOH E 3 . ? -6.735  -2.957 5.625  0.50 24.86 ? ? ? ? ? ? 110 HOH B O     1 
HETATM 60 O  O     . HOH E 3 . ? -5.438  3.650  7.430  0.50 21.37 ? ? ? ? ? ? 111 HOH B O     1 
HETATM 61 O  O     . HOH E 3 . ? -1.936  1.716  2.828  1.00 30.81 ? ? ? ? ? ? 115 HOH B O     1 
HETATM 62 O  O     . HOH E 3 . ? -3.878  3.518  2.619  1.00 44.66 ? ? ? ? ? ? 116 HOH B O     1 
HETATM 63 O  O     . HOH E 3 . ? -6.777  7.616  4.825  1.00 9.95  ? ? ? ? ? ? 118 HOH B O     1 
HETATM 64 O  O     . HOH E 3 . ? -3.145  6.249  3.447  1.00 9.64  ? ? ? ? ? ? 119 HOH B O     1 
HETATM 65 O  O     . HOH E 3 . ? -4.815  5.806  5.786  1.00 10.38 ? ? ? ? ? ? 120 HOH B O     1 
HETATM 66 O  O     . HOH E 3 . ? -5.993  5.422  3.082  1.00 8.82  ? ? ? ? ? ? 123 HOH B O     1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.U[1][1]_esd 
_atom_site_anisotrop.U[2][2]_esd 
_atom_site_anisotrop.U[3][3]_esd 
_atom_site_anisotrop.U[1][2]_esd 
_atom_site_anisotrop.U[1][3]_esd 
_atom_site_anisotrop.U[2][3]_esd 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1  P  P     . DA  A 1 0.1230 0.0972 0.1106 0.0175  0.0089  -0.0114 ? ? ? ? ? ? 2   DA  A P     
2  O  OP1   . DA  A 1 0.1106 0.1424 0.1525 0.0165  0.0513  -0.0460 ? ? ? ? ? ? 2   DA  A OP1   
3  O  OP2   . DA  A 1 0.1720 0.0999 0.1119 0.0277  0.0019  0.0054  ? ? ? ? ? ? 2   DA  A OP2   
4  O  "O5'" . DA  A 1 0.1100 0.0854 0.0807 -0.0121 0.0078  -0.0071 ? ? ? ? ? ? 2   DA  A "O5'" 
5  C  "C5'" . DA  A 1 0.1127 0.1159 0.1106 -0.0141 -0.0004 -0.0069 ? ? ? ? ? ? 2   DA  A "C5'" 
6  C  "C4'" . DA  A 1 0.1216 0.1566 0.1003 -0.0563 -0.0052 0.0034  ? ? ? ? ? ? 2   DA  A "C4'" 
7  O  "O4'" . DA  A 1 0.1370 0.1787 0.0711 -0.0394 0.0102  0.0188  ? ? ? ? ? ? 2   DA  A "O4'" 
8  C  "C3'" . DA  A 1 0.0995 0.1084 0.0603 0.0049  0.0113  0.0076  ? ? ? ? ? ? 2   DA  A "C3'" 
9  O  "O3'" . DA  A 1 0.1151 0.1195 0.1088 -0.0120 0.0042  0.0318  ? ? ? ? ? ? 2   DA  A "O3'" 
10 C  "C2'" . DA  A 1 0.1099 0.0871 0.0904 0.0010  0.0342  -0.0020 ? ? ? ? ? ? 2   DA  A "C2'" 
11 C  "C1'" . DA  A 1 0.0703 0.1509 0.1373 -0.0077 -0.0352 0.0230  ? ? ? ? ? ? 2   DA  A "C1'" 
12 N  N9    . DA  A 1 0.1840 0.1686 0.1032 0.0047  0.0434  0.0257  ? ? ? ? ? ? 2   DA  A N9    
13 C  C8    . DA  A 1 0.1540 0.1531 0.1007 0.0137  0.0024  0.0168  ? ? ? ? ? ? 2   DA  A C8    
14 N  N7    . DA  A 1 0.1612 0.2507 0.0801 0.0065  0.0408  0.0257  ? ? ? ? ? ? 2   DA  A N7    
15 C  C5    . DA  A 1 0.1650 0.5416 0.0634 0.0236  0.0404  0.1208  ? ? ? ? ? ? 2   DA  A C5    
16 C  C6    . DA  A 1 0.0748 0.1989 0.0836 0.0029  0.0166  0.0211  ? ? ? ? ? ? 2   DA  A C6    
17 N  N6    . DA  A 1 0.2473 0.5099 0.1349 0.2809  0.0740  0.1409  ? ? ? ? ? ? 2   DA  A N6    
18 N  N1    . DA  A 1 0.1056 0.2930 0.0873 -0.0187 -0.0215 0.0025  ? ? ? ? ? ? 2   DA  A N1    
19 C  C2    . DA  A 1 0.1613 0.1378 0.1549 -0.0197 -0.0778 0.0324  ? ? ? ? ? ? 2   DA  A C2    
20 N  N3    . DA  A 1 0.1410 0.1229 0.0888 -0.0035 0.0045  0.0276  ? ? ? ? ? ? 2   DA  A N3    
21 C  C4    . DA  A 1 0.1017 0.1349 0.1131 0.0619  0.0388  0.0651  ? ? ? ? ? ? 2   DA  A C4    
22 P  P     . DA  B 1 0.0829 0.0767 0.1183 0.0023  0.0028  -0.0033 ? ? ? ? ? ? 5   DA  B P     
23 O  OP1   . DA  B 1 0.0855 0.0988 0.1503 0.0022  -0.0091 0.0016  ? ? ? ? ? ? 5   DA  B OP1   
24 O  OP2   . DA  B 1 0.1519 0.1013 0.0895 0.0092  0.0041  0.0239  ? ? ? ? ? ? 5   DA  B OP2   
25 O  "O5'" . DA  B 1 0.0836 0.0830 0.1121 -0.0121 0.0044  -0.0046 ? ? ? ? ? ? 5   DA  B "O5'" 
26 C  "C5'" . DA  B 1 0.0899 0.1026 0.0596 -0.0111 -0.0005 0.0126  ? ? ? ? ? ? 5   DA  B "C5'" 
27 C  "C4'" . DA  B 1 0.0676 0.1279 0.0718 0.0094  -0.0052 0.0141  ? ? ? ? ? ? 5   DA  B "C4'" 
28 O  "O4'" . DA  B 1 0.0846 0.0962 0.0851 0.0111  0.0047  0.0028  ? ? ? ? ? ? 5   DA  B "O4'" 
29 C  "C3'" . DA  B 1 0.0978 0.0540 0.0909 -0.0126 0.0165  0.0052  ? ? ? ? ? ? 5   DA  B "C3'" 
30 O  "O3'" . DA  B 1 0.0791 0.0960 0.1028 -0.0092 0.0035  0.0071  ? ? ? ? ? ? 5   DA  B "O3'" 
31 C  "C2'" . DA  B 1 0.1182 0.0993 0.1006 -0.0008 -0.0329 0.0169  ? ? ? ? ? ? 5   DA  B "C2'" 
32 C  "C1'" . DA  B 1 0.0757 0.0853 0.1300 0.0250  0.0237  0.0295  ? ? ? ? ? ? 5   DA  B "C1'" 
33 N  N9    . DA  B 1 0.0888 0.0681 0.1165 -0.0290 -0.0265 0.0226  ? ? ? ? ? ? 5   DA  B N9    
34 C  C8    . DA  B 1 0.0876 0.0994 0.1322 0.0026  -0.0242 0.0457  ? ? ? ? ? ? 5   DA  B C8    
35 N  N7    . DA  B 1 0.1125 0.1002 0.1079 -0.0234 -0.0164 0.0302  ? ? ? ? ? ? 5   DA  B N7    
36 C  C5    . DA  B 1 0.1416 0.0680 0.0699 -0.0271 -0.0132 0.0164  ? ? ? ? ? ? 5   DA  B C5    
37 C  C6    . DA  B 1 0.0974 0.0759 0.0649 0.0014  -0.0262 -0.0078 ? ? ? ? ? ? 5   DA  B C6    
38 N  N6    . DA  B 1 0.0898 0.1039 0.0939 0.0113  -0.0042 0.0002  ? ? ? ? ? ? 5   DA  B N6    
39 N  N1    . DA  B 1 0.0704 0.0719 0.1004 0.0080  0.0022  0.0126  ? ? ? ? ? ? 5   DA  B N1    
40 C  C2    . DA  B 1 0.1278 0.0961 0.0821 -0.0386 0.0399  -0.0273 ? ? ? ? ? ? 5   DA  B C2    
41 N  N3    . DA  B 1 0.0590 0.0645 0.1012 -0.0149 -0.0051 -0.0055 ? ? ? ? ? ? 5   DA  B N3    
42 C  C4    . DA  B 1 0.1260 0.0703 0.0917 0.0093  -0.0403 -0.0172 ? ? ? ? ? ? 5   DA  B C4    
43 CO CO    . CO  C . 0.1799 0.1642 0.2491 0.0139  0.0125  0.0322  ? ? ? ? ? ? 8   CO  B CO    
44 O  O     . HOH D . 0.1945 0.1945 0.1114 0.0000  0.0000  0.0000  ? ? ? ? ? ? 103 HOH A O     
45 O  O     . HOH D . 0.2190 0.1748 0.1070 0.0165  -0.0131 0.0165  ? ? ? ? ? ? 104 HOH A O     
46 O  O     . HOH D . 0.6333 0.3755 0.0693 -0.1318 0.0132  -0.0140 ? ? ? ? ? ? 108 HOH A O     
47 O  O     . HOH D . 0.7563 0.7523 0.2982 -0.4078 0.2498  -0.2031 ? ? ? ? ? ? 109 HOH A O     
48 O  O     . HOH D . 0.4073 0.2512 0.3998 0.0731  -0.2706 -0.0328 ? ? ? ? ? ? 112 HOH A O     
49 O  O     . HOH D . 0.4201 0.1106 0.0601 -0.0682 0.0074  -0.0214 ? ? ? ? ? ? 113 HOH A O     
50 O  O     . HOH D . 0.2736 0.1272 0.1613 0.0417  0.0837  0.0058  ? ? ? ? ? ? 114 HOH A O     
51 O  O     . HOH D . 0.2233 0.1673 0.1161 -0.0484 -0.0018 0.0011  ? ? ? ? ? ? 117 HOH A O     
52 O  O     . HOH D . 0.1417 0.1258 0.1901 -0.0391 0.0361  -0.0468 ? ? ? ? ? ? 121 HOH A O     
53 O  O     . HOH D . 0.1328 0.1071 0.1226 -0.0092 0.0033  0.0152  ? ? ? ? ? ? 122 HOH A O     
54 O  O     . HOH E . 0.1190 0.1190 0.0530 0.0000  0.0000  0.0000  ? ? ? ? ? ? 101 HOH B O     
55 O  O     . HOH E . 0.1343 0.0964 0.1275 -0.0257 0.0270  -0.0325 ? ? ? ? ? ? 102 HOH B O     
56 O  O     . HOH E . 0.0879 0.0676 0.1067 -0.0175 -0.0443 0.0256  ? ? ? ? ? ? 105 HOH B O     
57 O  O     . HOH E . 0.1803 0.1803 0.1351 0.0000  0.0000  0.0000  ? ? ? ? ? ? 106 HOH B O     
58 O  O     . HOH E . 0.2922 0.2203 0.2199 -0.0622 -0.0706 0.0408  ? ? ? ? ? ? 107 HOH B O     
59 O  O     . HOH E . 0.4224 0.1292 0.3928 -0.1557 -0.3514 0.1664  ? ? ? ? ? ? 110 HOH B O     
60 O  O     . HOH E . 0.2174 0.2590 0.3354 0.0360  -0.0203 0.0118  ? ? ? ? ? ? 111 HOH B O     
61 O  O     . HOH E . 0.3697 0.3484 0.4527 0.0224  0.0882  0.2023  ? ? ? ? ? ? 115 HOH B O     
62 O  O     . HOH E . 0.9530 0.2228 0.5212 -0.0022 -0.5054 -0.0344 ? ? ? ? ? ? 116 HOH B O     
63 O  O     . HOH E . 0.0838 0.0986 0.1956 0.0072  0.0162  0.0263  ? ? ? ? ? ? 118 HOH B O     
64 O  O     . HOH E . 0.0925 0.1121 0.1616 -0.0004 0.0318  0.0029  ? ? ? ? ? ? 119 HOH B O     
65 O  O     . HOH E . 0.1182 0.1163 0.1598 -0.0132 -0.0071 0.0313  ? ? ? ? ? ? 120 HOH B O     
66 O  O     . HOH E . 0.1143 0.1021 0.1189 -0.0258 -0.0033 0.0106  ? ? ? ? ? ? 123 HOH B O     
# 
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 DA 1 2 2 DA A A . n 
A 1 2 DA 2 3 ? ?  ? A . n 
A 1 3 DA 3 4 ? ?  ? A . n 
B 1 1 DA 1 5 5 DA A B . n 
B 1 2 DA 2 6 ? ?  ? B . n 
B 1 3 DA 3 7 ? ?  ? B . n 
# 
_pdbx_database_remark.id     999 
_pdbx_database_remark.text   
;SEQUENCE
The crystallized entity is 5'-CD(*AP*AP*AP)-3', however, 
each of the two independent molecules sits on the 
crystallographic 3-fold axis. Remark 350 provides the way 
to create cyclic D(*Ap*Ap*Ap) molecule.
;
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
BIOTEX    'data collection' . ? 1 
BIOTEX    'data reduction'  . ? 2 
SHELXS    'model building'  . ? 3 
SHELXL-97 refinement        . ? 4 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
1O55 2008-04-26 3 2    'Version format compliance' 'compliance with PDB format V.3.15'          
1O55 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
1 Y 1 1 A DA 3 ? 
2 Y 1 1 A DA 4 ? 
3 Y 1 1 B DA 6 ? 
4 Y 1 1 B DA 7 ? 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? trimeric 3 
2 author_defined_assembly ? trimeric 3 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1,2,3 A,D   
2 1,4,5 B,C,E 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z        1.0000000000  0.0000000000  0.0000000000 0.0000000000   0.0000000000  
1.0000000000  0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 3_565 -x+y,-x+1,z  -0.5000000000 0.8660254038  0.0000000000 -11.3185000000 -0.8660254038 
-0.5000000000 0.0000000000 19.6042170655 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
3 'crystal symmetry operation' 2_665 -y+1,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 11.3185000000  0.8660254038  
-0.5000000000 0.0000000000 19.6042170655 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
4 'crystal symmetry operation' 2_555 -y,x-y,z     -0.5000000000 -0.8660254038 0.0000000000 0.0000000000   0.8660254038  
-0.5000000000 0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000 0.0000000000 
5 'crystal symmetry operation' 3_555 -x+y,-x,z    -0.5000000000 0.8660254038  0.0000000000 0.0000000000   -0.8660254038 
-0.5000000000 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 
C 2 CO  1  8   7   CO  OCO B . 
D 3 HOH 1  103 103 HOH HOH A . 
D 3 HOH 2  104 104 HOH HOH A . 
D 3 HOH 3  108 108 HOH HOH A . 
D 3 HOH 4  109 109 HOH HOH A . 
D 3 HOH 5  112 112 HOH HOH A . 
D 3 HOH 6  113 113 HOH HOH A . 
D 3 HOH 7  114 114 HOH HOH A . 
D 3 HOH 8  117 117 HOH HOH A . 
D 3 HOH 9  121 7   HOH OCO A . 
D 3 HOH 10 122 7   HOH OCO A . 
E 3 HOH 1  101 101 HOH HOH B . 
E 3 HOH 2  102 102 HOH HOH B . 
E 3 HOH 3  105 105 HOH HOH B . 
E 3 HOH 4  106 106 HOH HOH B . 
E 3 HOH 5  107 107 HOH HOH B . 
E 3 HOH 6  110 110 HOH HOH B . 
E 3 HOH 7  111 111 HOH HOH B . 
E 3 HOH 8  115 115 HOH HOH B . 
E 3 HOH 9  116 116 HOH HOH B . 
E 3 HOH 10 118 7   HOH OCO B . 
E 3 HOH 11 119 7   HOH OCO B . 
E 3 HOH 12 120 7   HOH OCO B . 
E 3 HOH 13 123 7   HOH OCO B . 
# 
_pdbx_prerelease_seq.entity_id             1 
_pdbx_prerelease_seq.seq_one_letter_code   '(DA)(DA)(DA)' 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 P A DA 2 ? ? 1_555 "O3'" A DA 2 ? ? 3_565 1.61 
2 1 P B DA 5 ? ? 1_555 "O3'" B DA 5 ? ? 3_555 1.62 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'COBALT (II) ION' CO  
3 water             HOH 
# 
