NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
627038 | 5w4s | 30305 | cing | 2-parsed | STAR | entry | full | 43 |
data_5w4s_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_5w4s _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_5w4s 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_5w4s _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5w4s "Master copy" parsed_5w4s stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_5w4s _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 5w4s.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5w4s 1 1 5w4s.mr . . XPLOR/CNS 2 distance NOE ambi 31 parsed_5w4s 1 1 5w4s.mr . . XPLOR/CNS 3 distance "general distance" simple 12 parsed_5w4s 1 1 5w4s.mr . . HADDOCK 4 distance NOE ambi 0 parsed_5w4s 1 1 5w4s.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5w4s 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_5w4s _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER TRANSFERASE 12-JUN-17 5W4S *TITLE SOLUTION STRUCTURE OF C2 DOMAIN FROM PROTEIN KINASE C ALPHA IN TERNARY *TITLE 2 COMPLEX WITH CALCIUM AND V5-PHM PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PROTEIN KINASE C ALPHA TYPE; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: C2 DOMAIN RESIDUES 155-293; *COMPND 5 SYNONYM: PKC-ALPHA; *COMPND 6 EC: 2.7.11.13; *COMPND 7 ENGINEERED: YES; *COMPND 8 MOL_ID: 2; *COMPND 9 MOLECULE: V5-PHM PEPTIDE; *COMPND 10 CHAIN: B; *COMPND 11 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; *SOURCE 3 ORGANISM_COMMON: RAT; *SOURCE 4 ORGANISM_TAXID: 10116; *SOURCE 5 GENE: PRKCA, PKCA; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 8 MOL_ID: 2; *SOURCE 9 SYNTHETIC: YES; *SOURCE 10 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; *SOURCE 11 ORGANISM_TAXID: 10116 *KEYWDS TRANSFERASE, PHOSPHORYLATION *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR Y.YANG,T.I.IGUMENOVA *REVDAT 1 25-APR-18 5W4S 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_5w4s _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_5w4s 1 2 1 . . . parsed_5w4s 1 3 1 . . . parsed_5w4s 1 4 1 . . . parsed_5w4s 1 5 1 . . . parsed_5w4s 1 6 1 . . . parsed_5w4s 1 7 1 . . . parsed_5w4s 1 8 1 . . . parsed_5w4s 1 9 1 . . . parsed_5w4s 1 10 1 . . . parsed_5w4s 1 11 1 . . . parsed_5w4s 1 12 1 . . . parsed_5w4s 1 13 1 . . . parsed_5w4s 1 14 1 . . . parsed_5w4s 1 15 1 . . . parsed_5w4s 1 16 1 . . . parsed_5w4s 1 17 1 . . . parsed_5w4s 1 18 1 . . . parsed_5w4s 1 19 1 . . . parsed_5w4s 1 20 1 . . . parsed_5w4s 1 21 1 . . . parsed_5w4s 1 22 1 . . . parsed_5w4s 1 23 1 . . . parsed_5w4s 1 24 1 . . . parsed_5w4s 1 25 1 . . . parsed_5w4s 1 26 1 . . . parsed_5w4s 1 27 1 . . . parsed_5w4s 1 28 1 . . . parsed_5w4s 1 29 1 . . . parsed_5w4s 1 30 1 . . . parsed_5w4s 1 31 1 . . . parsed_5w4s 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1 1 1 2 . . . . . . . . B 659 . H1 parsed_5w4s 1 2 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1 2 1 2 . . . . . . . . B 659 . H2 parsed_5w4s 1 3 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1 3 1 2 . . . . . . . . B 656 . HE1 parsed_5w4s 1 4 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1 4 1 2 . . . . . . . . B 656 . HD# parsed_5w4s 1 5 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1 5 1 2 . . . . . . . . B 658 . HN parsed_5w4s 1 6 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1 6 1 2 . . . . . . . . B 658 . HA parsed_5w4s 1 7 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1 7 1 2 . . . . . . . . B 656 . HA parsed_5w4s 1 8 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1 8 1 2 . . . . . . . . B 656 . HB2 parsed_5w4s 1 9 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1 9 1 2 . . . . . . . . B 655 . HA2 parsed_5w4s 1 10 1 1 . . . . . . . . A 247 . HZ2 parsed_5w4s 1 10 1 2 . . . . . . . . B 657 . HB# parsed_5w4s 1 11 1 1 . . . . . . . . A 247 . HD1 parsed_5w4s 1 11 1 2 . . . . . . . . B 657 . HB# parsed_5w4s 1 12 1 1 . . . . . . . . A 247 . HH2 parsed_5w4s 1 12 1 2 . . . . . . . . A 252 . HB# parsed_5w4s 1 12 1 2 . . . . . . . . B 657 . HB# parsed_5w4s 1 13 1 1 . . . . . . . . A 247 . HZ2 parsed_5w4s 1 13 1 2 . . . . . . . . A 252 . HG# parsed_5w4s 1 14 1 1 . . . . . . . . A 247 . HZ2 parsed_5w4s 1 14 1 2 . . . . . . . . B 655 . HA# parsed_5w4s 1 15 1 1 . . . . . . . . A 247 . HZ2 parsed_5w4s 1 15 1 2 . . . . . . . . B 656 . HB# parsed_5w4s 1 16 1 1 . . . . . . . . A 253 . HN parsed_5w4s 1 16 1 2 . . . . . . . . B 653 . HD# parsed_5w4s 1 17 1 1 . . . . . . . . A 197 . HE2 parsed_5w4s 1 17 1 2 . . . . . . . . B 653 . HA parsed_5w4s 1 18 1 1 . . . . . . . . A 197 . HE2 parsed_5w4s 1 18 1 2 . . . . . . . . B 653 . HE1 parsed_5w4s 1 19 1 1 . . . . . . . . A 197 . HE2 parsed_5w4s 1 19 1 2 . . . . . . . . B 653 . HD# parsed_5w4s 1 20 1 1 . . . . . . . . A 252 . HD# parsed_5w4s 1 20 1 2 . . . . . . . . B 653 . HA parsed_5w4s 1 21 1 1 . . . . . . . . A 252 . HD# parsed_5w4s 1 21 1 2 . . . . . . . . B 653 . HE1 parsed_5w4s 1 22 1 1 . . . . . . . . A 252 . HD# parsed_5w4s 1 22 1 2 . . . . . . . . B 653 . HD# parsed_5w4s 1 23 1 1 . . . . . . . . A 252 . HG# parsed_5w4s 1 23 1 2 . . . . . . . . B 653 . HD# parsed_5w4s 1 24 1 1 . . . . . . . . A 252 . HA parsed_5w4s 1 24 1 2 . . . . . . . . B 656 . HD# parsed_5w4s 1 25 1 1 . . . . . . . . A 252 . HB# parsed_5w4s 1 25 1 2 . . . . . . . . B 656 . HD# parsed_5w4s 1 26 1 1 . . . . . . . . A 199 . HE# parsed_5w4s 1 26 1 2 . . . . . . . . B 653 . HA parsed_5w4s 1 27 1 1 . . . . . . . . A 199 . HE# parsed_5w4s 1 27 1 2 . . . . . . . . B 653 . HD1 parsed_5w4s 1 28 1 1 . . . . . . . . A 209 . HG# parsed_5w4s 1 28 1 2 . . . . . . . . B 653 . HE1 parsed_5w4s 1 29 1 1 . . . . . . . . A 211 . HE# parsed_5w4s 1 29 1 2 . . . . . . . . B 656 . HE2 parsed_5w4s 1 30 1 1 . . . . . . . . A 211 . HE# parsed_5w4s 1 30 1 2 . . . . . . . . B 656 . HA parsed_5w4s 1 31 1 1 . . . . . . . . A 214 . HN parsed_5w4s 1 31 1 2 . . . . . . . . B 656 . HE2 parsed_5w4s 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 2 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 3 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 4 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 5 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 6 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 7 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 8 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 9 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 10 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 11 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 12 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 13 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 14 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 15 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 16 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 17 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 18 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 19 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 20 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 21 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 22 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 23 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 24 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 25 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 26 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 27 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 28 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 29 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 30 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 31 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 W247 3 1 3 8 parsed_5w4s 1 2 N253 19 104 21 7 parsed_5w4s 1 3 K197 22 102 24 6 parsed_5w4s 1 4 R252 27 102 29 6 parsed_5w4s 1 5 K199 35 102 37 6 parsed_5w4s 1 6 K209 39 102 41 6 parsed_5w4s 1 7 K211 42 102 44 6 parsed_5w4s 1 8 T214 46 102 48 7 parsed_5w4s 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "# Restraints file 1: Restraints.tbl" 1 1 1 35 parsed_5w4s 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_5w4s _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_5w4s 2 2 1 . . . parsed_5w4s 2 3 1 . . . parsed_5w4s 2 4 1 . . . parsed_5w4s 2 5 1 . . . parsed_5w4s 2 6 1 . . . parsed_5w4s 2 7 1 . . . parsed_5w4s 2 8 1 . . . parsed_5w4s 2 9 1 . . . parsed_5w4s 2 10 1 . . . parsed_5w4s 2 11 1 . . . parsed_5w4s 2 12 1 . . . parsed_5w4s 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 294 . CA+2 parsed_5w4s 2 1 1 2 . . . . . . . . A 187 . OD1 parsed_5w4s 2 2 1 1 . . . . . . . . A 294 . CA+2 parsed_5w4s 2 2 1 2 . . . . . . . . A 187 . OD2 parsed_5w4s 2 3 1 1 . . . . . . . . A 294 . CA+2 parsed_5w4s 2 3 1 2 . . . . . . . . A 193 . OD2 parsed_5w4s 2 4 1 1 . . . . . . . . A 294 . CA+2 parsed_5w4s 2 4 1 2 . . . . . . . . A 248 . OD1 parsed_5w4s 2 5 1 1 . . . . . . . . A 294 . CA+2 parsed_5w4s 2 5 1 2 . . . . . . . . A 246 . OD1 parsed_5w4s 2 6 1 1 . . . . . . . . A 294 . CA+2 parsed_5w4s 2 6 1 2 . . . . . . . . A 247 . O parsed_5w4s 2 7 1 1 . . . . . . . . A 295 . CA+2 parsed_5w4s 2 7 1 2 . . . . . . . . A 187 . OD1 parsed_5w4s 2 8 1 1 . . . . . . . . A 295 . CA+2 parsed_5w4s 2 8 1 2 . . . . . . . . A 248 . OD2 parsed_5w4s 2 9 1 1 . . . . . . . . A 295 . CA+2 parsed_5w4s 2 9 1 2 . . . . . . . . A 248 . OD1 parsed_5w4s 2 10 1 1 . . . . . . . . A 295 . CA+2 parsed_5w4s 2 10 1 2 . . . . . . . . A 254 . OD2 parsed_5w4s 2 11 1 1 . . . . . . . . A 295 . CA+2 parsed_5w4s 2 11 1 2 . . . . . . . . A 246 . OD2 parsed_5w4s 2 12 1 1 . . . . . . . . A 295 . CA+2 parsed_5w4s 2 12 1 2 . . . . . . . . A 186 . O parsed_5w4s 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 2 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 3 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 4 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 5 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 6 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 7 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 8 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 9 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 10 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 11 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 12 1 . . . . . 2.30 2.10 2.50 parsed_5w4s 2 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 Ca1 1 1 1 7 parsed_5w4s 2 2 Ca2 7 107 9 7 parsed_5w4s 2 stop_ save_
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