NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
591520 |
2n0s   |
19622 | cing | 2-parsed | STAR | entry | full | 8 |
data_2n0s_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n0s
_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_2n0s 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n0s
_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 2n0s "Master copy" parsed_2n0s
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n0s
_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 2n0s.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n0s 1
1 2n0s.mr . . XPLOR/CNS 2 distance "general distance" simple 8 parsed_2n0s 1
1 2n0s.mr . . HADDOCK 3 distance NOE ambi 0 parsed_2n0s 1
1 2n0s.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n0s 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_2n0s
_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 OXIDOREDUCTASE 13-MAR-15 2N0S
*TITLE HADDOCK MODEL OF FERREDOXIN AND [FEFE] HYDROGENASE COMPLEX
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: FE-HYDROGENASE;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: IRON HYDROGENASE, IRON-HYDROGENASE HYDA1;
*COMPND 5 EC: 1.18.99.1;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 MOL_ID: 2;
*COMPND 8 MOLECULE: FERREDOXIN, CHLOROPLASTIC;
*COMPND 9 CHAIN: B;
*COMPND 10 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII;
*SOURCE 3 ORGANISM_TAXID: 3055;
*SOURCE 4 GENE: HYD1, HYD1, HYDA, HYDA1, CHLREDRAFT_183963;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET21B;
*SOURCE 8 MOL_ID: 2;
*SOURCE 9 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII;
*SOURCE 10 ORGANISM_TAXID: 3055;
*SOURCE 11 GENE: PETF;
*SOURCE 12 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 13 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 14 EXPRESSION_SYSTEM_VECTOR: PET21B
*KEYWDS OXIDOREDUCTASE
*EXPDTA SOLUTION NMR
*NUMMDL 4
*AUTHOR S.RUMPEL, J.SIEBEL, C.FARES, E.REIJERSE, W.LUBITZ
*REVDAT 1 24-JUN-15 2N0S 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n0s
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_2n0s 1
2 1 . . . parsed_2n0s 1
3 1 . . . parsed_2n0s 1
4 1 . . . parsed_2n0s 1
5 1 . . . parsed_2n0s 1
6 1 . . . parsed_2n0s 1
7 1 . . . parsed_2n0s 1
8 1 . . . parsed_2n0s 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 . . . . . . . . . 38 . SG parsed_2n0s 1
1 1 2 . . . . . . . . . 102 . FE1 parsed_2n0s 1
2 1 1 . . . . . . . . . 43 . SG parsed_2n0s 1
2 1 2 . . . . . . . . . 102 . FE1 parsed_2n0s 1
3 1 1 . . . . . . . . . 46 . SG parsed_2n0s 1
3 1 2 . . . . . . . . . 102 . FE2 parsed_2n0s 1
4 1 1 . . . . . . . . . 76 . SG parsed_2n0s 1
4 1 2 . . . . . . . . . 102 . FE2 parsed_2n0s 1
5 1 1 . . . . . . . . . 130 . SG parsed_2n0s 1
5 1 2 . . . . . . . . . 458 . FE1 parsed_2n0s 1
6 1 1 . . . . . . . . . 185 . SG parsed_2n0s 1
6 1 2 . . . . . . . . . 458 . FE3 parsed_2n0s 1
7 1 1 . . . . . . . . . 377 . SG parsed_2n0s 1
7 1 2 . . . . . . . . . 458 . FE2 parsed_2n0s 1
8 1 1 . . . . . . . . . 381 . SG parsed_2n0s 1
8 1 2 . . . . . . . . . 458 . FE4 parsed_2n0s 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 . . . . . 2.30 2.200 2.350 parsed_2n0s 1
2 1 . . . . . 2.30 2.200 2.350 parsed_2n0s 1
3 1 . . . . . 2.30 2.200 2.350 parsed_2n0s 1
4 1 . . . . . 2.30 2.200 2.350 parsed_2n0s 1
5 1 . . . . . 2.30 2.200 2.350 parsed_2n0s 1
6 1 . . . . . 2.30 2.200 2.350 parsed_2n0s 1
7 1 . . . . . 2.30 2.200 2.350 parsed_2n0s 1
8 1 . . . . . 2.30 2.200 2.350 parsed_2n0s 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 "cluster coordination PetF" 1 1 1 27 parsed_2n0s 1
2 "cluster coordination HydA1" 6 1 6 29 parsed_2n0s 1
stop_
save_
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