NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
49125 |
2jqr   |
15301 | cing | 2-parsed | STAR | entry | full | 10 |
data_2jqr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jqr
_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_2jqr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jqr
_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 2jqr "Master copy" parsed_2jqr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jqr
_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 2jqr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jqr 1
1 2jqr.mr . . XPLOR/CNS 2 distance "general distance" simple 10 parsed_2jqr 1
1 2jqr.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2jqr 1
1 2jqr.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jqr 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_2jqr
_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 ELECTRON TRANSPORT 07-JUN-07 2JQR
*TITLE SOLUTION MODEL OF CROSSLINKED COMPLEX OF CYTOCHROME C AND
*TITLE 2 ADRENODOXIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CYTOCHROME C ISO-1;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MUTATION: YES;
*COMPND 6 MOL_ID: 2;
*COMPND 7 MOLECULE: ADRENODOXIN, MITOCHONDRIAL;
*COMPND 8 CHAIN: B;
*COMPND 9 FRAGMENT: 2FE-2S FERREDOXIN-TYPE DOMAIN, RESIDUES 62-166;
*COMPND 10 SYNONYM: ADRENAL FERREDOXIN, FERREDOXIN- 1, HEPATO-
*COMPND 11 FERREDOXIN;
*COMPND 12 ENGINEERED: YES;
*COMPND 13 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
*SOURCE 3 ORGANISM_COMMON: YEAST;
*SOURCE 4 GENE: CYC1;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PUCCC;
*SOURCE 8 MOL_ID: 2;
*SOURCE 9 ORGANISM_SCIENTIFIC: BOS TAURUS;
*SOURCE 10 ORGANISM_COMMON: BOVINE;
*SOURCE 11 GENE: FDX1, ADX;
*SOURCE 12 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 13 EXPRESSION_SYSTEM_STRAIN: HB101;
*SOURCE 14 EXPRESSION_SYSTEM_VECTOR: PKKHC, PMIXT
*KEYWDS ELECTRON TRANSPORT, CYTOCHROME C, ADRENODOXIN, CROSSLINKED
*KEYWDS 2 COMPLEX, 2FE2S FERREDOXIN, PSEUDOCONTACT SHIFT,
*KEYWDS 3 PARAMAGNETIC RELAXATION ENHANCEMENT, ENCOUNTER COMPLEX
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR X.XU, W.REINLE, F.HANNEMANN, P.V.KONAREV, D.I.SVERGUN,
*AUTHOR 2 R.BERNHARDT, M.UBBINK
*REVDAT 1 22-APR-08 2JQR 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2jqr
_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_2jqr 1
2 1 . . . parsed_2jqr 1
3 1 . . . parsed_2jqr 1
4 1 . . . parsed_2jqr 1
5 1 . . . parsed_2jqr 1
6 1 . . . parsed_2jqr 1
7 1 . . . parsed_2jqr 1
8 1 . . . parsed_2jqr 1
9 1 . . . parsed_2jqr 1
10 1 . . . parsed_2jqr 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 . . . . . . . . . 1 . FE# parsed_2jqr 1
1 1 2 . . . . . . . . CYTC 13 . HN parsed_2jqr 1
2 1 1 . . . . . . . . . 1 . FE# parsed_2jqr 1
2 1 2 . . . . . . . . CYTC 14 . HN parsed_2jqr 1
3 1 1 . . . . . . . . . 1 . FE# parsed_2jqr 1
3 1 2 . . . . . . . . CYTC 15 . HN parsed_2jqr 1
4 1 1 . . . . . . . . . 1 . FE# parsed_2jqr 1
4 1 2 . . . . . . . . CYTC 16 . HN parsed_2jqr 1
5 1 1 . . . . . . . . . 1 . FE# parsed_2jqr 1
5 1 2 . . . . . . . . CYTC 27 . HN parsed_2jqr 1
6 1 1 . . . . . . . . . 1 . FE# parsed_2jqr 1
6 1 2 . . . . . . . . CYTC 29 . HN parsed_2jqr 1
7 1 1 . . . . . . . . . 1 . FE# parsed_2jqr 1
7 1 2 . . . . . . . . CYTC 31 . HN parsed_2jqr 1
8 1 1 . . . . . . . . . 1 . FE# parsed_2jqr 1
8 1 2 . . . . . . . . CYTC 80 . HN parsed_2jqr 1
9 1 1 . . . . . . . . . 1 . FE# parsed_2jqr 1
9 1 2 . . . . . . . . CYTC 81 . HN parsed_2jqr 1
10 1 1 . . . . . . . . . 1 . FE# parsed_2jqr 1
10 1 2 . . . . . . . . CYTC 82 . HN parsed_2jqr 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 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
2 1 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
3 1 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
4 1 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
5 1 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
6 1 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
7 1 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
8 1 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
9 1 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
10 1 . . . . . 10.00 10.00 20.00 parsed_2jqr 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2jqr
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 42 and name HN ) 0.0360 0.0200
;
2 1 6 66 parsed_2jqr 1
2
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 58 and name HN ) -0.0520 0.0200
;
9 1 13 66 parsed_2jqr 1
3
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 59 and name HN ) -0.0240 0.0200
;
15 1 19 66 parsed_2jqr 1
4
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 60 and name HN ) -0.0340 0.0200
;
21 1 25 66 parsed_2jqr 1
5
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 64 and name HN ) -0.0200 0.0200
;
28 1 32 66 parsed_2jqr 1
6
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 70 and name HN ) -0.0460 0.0200
;
34 1 38 66 parsed_2jqr 1
7
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 72 and name HN ) -0.0260 0.0200
;
40 1 44 66 parsed_2jqr 1
8
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 73 and name HN ) -0.0390 0.0200
;
47 1 51 66 parsed_2jqr 1
9
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 74 and name HN ) -0.0200 0.0200
;
53 1 57 66 parsed_2jqr 1
10
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 75 and name HN ) -0.0460 0.0500
;
59 1 63 66 parsed_2jqr 1
11
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 76 and name HN ) -0.1890 0.0500
;
68 1 72 66 parsed_2jqr 1
12
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 77 and name HN ) -0.2340 0.0500
;
74 1 78 66 parsed_2jqr 1
13
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 82 and name HN ) -0.17820 0.0500
;
82 1 86 67 parsed_2jqr 1
14
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 83 and name HN ) -0.1820 0.0500
;
88 1 92 66 parsed_2jqr 1
15
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 85 and name HN ) -0.0703 0.0200
;
95 1 99 66 parsed_2jqr 1
16
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 86 and name HN ) -0.0330 0.0200
;
102 1 106 66 parsed_2jqr 1
17
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 87 and name HN ) -0.0400 0.0200
;
109 1 113 66 parsed_2jqr 1
18
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 88 and name HN ) -0.0550 0.0200
;
116 1 120 66 parsed_2jqr 1
19
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 89 and name HN ) -0.0490 0.0200
;
122 1 126 66 parsed_2jqr 1
20
;
assign ( resid 1 and name OO )
( resid 1 and name Z )
( resid 1 and name X )
( resid 1 and name Y )
( segid ADX and resid 106 and name HN ) -0.0230 0.0200
;
129 1 133 66 parsed_2jqr 1
stop_
save_
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