NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
519808 |
2l2p   |
17149 | cing | 2-parsed | STAR | entry | full | 86 |
data_2l2p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l2p
_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_2l2p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l2p
_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 2l2p "Master copy" parsed_2l2p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l2p
_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 2l2p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l2p 1
1 2l2p.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 44 parsed_2l2p 1
1 2l2p.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 42 parsed_2l2p 1
1 2l2p.mr . . XPLOR/CNS 4 "chemical shift anisotropy" "Not applicable" "Not applicable" 0 parsed_2l2p 1
1 2l2p.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l2p 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_2l2p
_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 25-AUG-10 2L2P
*TITLE FOLDING INTERMEDIATE OF THE FYN SH3 A39V/N53P/V55L FROM NMR RELAXATION
*TITLE 2 DISPERSION EXPERIMENTS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE FYN;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: SH3 DOMAIN (UNP RESIDUES 85-142);
*COMPND 5 EC: 2.7.10.2;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;
*SOURCE 3 ORGANISM_COMMON: BANTAM,CHICKENS;
*SOURCE 4 ORGANISM_TAXID: 9031;
*SOURCE 5 GENE: FYN;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET
*KEYWDS AMYLOID FIBRIL, CHEMICAL EXCHANGE, CPMG NMR RELAXATION DISPERSION,
*KEYWDS 2 FYN SH3 DOMAIN, PROTEIN FOLDING INTERMEDIATE, TRANSFERASE
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR P.NEUDECKER, P.ROBUSTELLI, A.CAVALLI, M.VENDRUSCOLO, L.E.KAY
*REVDAT 1 14-SEP-11 2L2P 0
;
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l2p
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -6.98 . . . . . 2 . N . 2 . HN parsed_2l2p 1
2 . . . . . . . . . . . . . . . . -8.76 . . . . . 3 . N . 3 . HN parsed_2l2p 1
3 . . . . . . . . . . . . . . . . 22.35 . . . . . 4 . N . 4 . HN parsed_2l2p 1
4 . . . . . . . . . . . . . . . . 20.55 . . . . . 6 . N . 6 . HN parsed_2l2p 1
5 . . . . . . . . . . . . . . . . 3.87 . . . . . 7 . N . 7 . HN parsed_2l2p 1
6 . . . . . . . . . . . . . . . . 16.39 . . . . . 8 . N . 8 . HN parsed_2l2p 1
7 . . . . . . . . . . . . . . . . 5.48 . . . . . 9 . N . 9 . HN parsed_2l2p 1
8 . . . . . . . . . . . . . . . . -7.03 . . . . . 10 . N . 10 . HN parsed_2l2p 1
9 . . . . . . . . . . . . . . . . -0.71 . . . . . 11 . N . 11 . HN parsed_2l2p 1
10 . . . . . . . . . . . . . . . . -2.82 . . . . . 12 . N . 12 . HN parsed_2l2p 1
11 . . . . . . . . . . . . . . . . -2.81 . . . . . 13 . N . 13 . HN parsed_2l2p 1
12 . . . . . . . . . . . . . . . . -29.20 . . . . . 14 . N . 14 . HN parsed_2l2p 1
13 . . . . . . . . . . . . . . . . 6.63 . . . . . 15 . N . 15 . HN parsed_2l2p 1
14 . . . . . . . . . . . . . . . . -11.22 . . . . . 16 . N . 16 . HN parsed_2l2p 1
15 . . . . . . . . . . . . . . . . -27.32 . . . . . 17 . N . 17 . HN parsed_2l2p 1
16 . . . . . . . . . . . . . . . . 19.89 . . . . . 18 . N . 18 . HN parsed_2l2p 1
17 . . . . . . . . . . . . . . . . 16.79 . . . . . 19 . N . 19 . HN parsed_2l2p 1
18 . . . . . . . . . . . . . . . . -14.20 . . . . . 20 . N . 20 . HN parsed_2l2p 1
19 . . . . . . . . . . . . . . . . -21.90 . . . . . 21 . N . 21 . HN parsed_2l2p 1
20 . . . . . . . . . . . . . . . . -21.70 . . . . . 22 . N . 22 . HN parsed_2l2p 1
21 . . . . . . . . . . . . . . . . 8.11 . . . . . 23 . N . 23 . HN parsed_2l2p 1
22 . . . . . . . . . . . . . . . . -32.14 . . . . . 24 . N . 24 . HN parsed_2l2p 1
23 . . . . . . . . . . . . . . . . 24.12 . . . . . 26 . N . 26 . HN parsed_2l2p 1
24 . . . . . . . . . . . . . . . . 9.68 . . . . . 27 . N . 27 . HN parsed_2l2p 1
25 . . . . . . . . . . . . . . . . -21.75 . . . . . 28 . N . 28 . HN parsed_2l2p 1
26 . . . . . . . . . . . . . . . . -25.64 . . . . . 29 . N . 29 . HN parsed_2l2p 1
27 . . . . . . . . . . . . . . . . -3.92 . . . . . 30 . N . 30 . HN parsed_2l2p 1
28 . . . . . . . . . . . . . . . . 7.10 . . . . . 32 . N . 32 . HN parsed_2l2p 1
29 . . . . . . . . . . . . . . . . 12.11 . . . . . 33 . N . 33 . HN parsed_2l2p 1
30 . . . . . . . . . . . . . . . . 12.45 . . . . . 36 . N . 36 . HN parsed_2l2p 1
31 . . . . . . . . . . . . . . . . 5.68 . . . . . 37 . N . 37 . HN parsed_2l2p 1
32 . . . . . . . . . . . . . . . . 2.45 . . . . . 38 . N . 38 . HN parsed_2l2p 1
33 . . . . . . . . . . . . . . . . -17.86 . . . . . 39 . N . 39 . HN parsed_2l2p 1
34 . . . . . . . . . . . . . . . . 24.67 . . . . . 40 . N . 40 . HN parsed_2l2p 1
35 . . . . . . . . . . . . . . . . 12.65 . . . . . 41 . N . 41 . HN parsed_2l2p 1
36 . . . . . . . . . . . . . . . . 10.65 . . . . . 42 . N . 42 . HN parsed_2l2p 1
37 . . . . . . . . . . . . . . . . -3.21 . . . . . 43 . N . 43 . HN parsed_2l2p 1
38 . . . . . . . . . . . . . . . . -17.31 . . . . . 44 . N . 44 . HN parsed_2l2p 1
39 . . . . . . . . . . . . . . . . 4.07 . . . . . 45 . N . 45 . HN parsed_2l2p 1
40 . . . . . . . . . . . . . . . . 13.70 . . . . . 47 . N . 47 . HN parsed_2l2p 1
41 . . . . . . . . . . . . . . . . -8.67 . . . . . 48 . N . 48 . HN parsed_2l2p 1
42 . . . . . . . . . . . . . . . . -2.77 . . . . . 50 . N . 50 . HN parsed_2l2p 1
43 . . . . . . . . . . . . . . . . 16.80 . . . . . 54 . N . 54 . HN parsed_2l2p 1
44 . . . . . . . . . . . . . . . . 14.80 . . . . . 55 . N . 55 . HN parsed_2l2p 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 5 and name N ) (resid 5 and name HN ) 40.85 12.95
;
10 1 12 76 parsed_2l2p 1
2
;
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 34 and name N ) (resid 34 and name HN ) -2.26 5.26
;
91 1 93 76 parsed_2l2p 1
3
;
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 36 and name NE1 ) (resid 36 and name HE1 ) -13.63 6.58
;
97 1 99 76 parsed_2l2p 1
4
;
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 37 and name NE1 ) (resid 37 and name HE1 ) 12.64 2.55
;
103 1 105 76 parsed_2l2p 1
5
;
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 52 and name N ) (resid 52 and name HN ) -19.27 7.21
;
139 1 141 76 parsed_2l2p 1
6
;
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 56 and name N ) (resid 56 and name HN ) -9.13 5.94
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 58 and name N ) (resid 58 and name HN ) 1.85 1.85
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 59 and name N ) (resid 59 and name HN ) -3.41 1.85
;
148 1 156 76 parsed_2l2p 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l2p
_RDC_constraint_list.ID 2
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 3.29 . . . . . 2 . N . 2 . HN parsed_2l2p 2
2 . . . . . . . . . . . . . . . . -3.27 . . . . . 3 . N . 3 . HN parsed_2l2p 2
3 . . . . . . . . . . . . . . . . -0.34 . . . . . 4 . N . 4 . HN parsed_2l2p 2
4 . . . . . . . . . . . . . . . . -4.39 . . . . . 6 . N . 6 . HN parsed_2l2p 2
5 . . . . . . . . . . . . . . . . -1.53 . . . . . 7 . N . 7 . HN parsed_2l2p 2
6 . . . . . . . . . . . . . . . . -2.94 . . . . . 8 . N . 8 . HN parsed_2l2p 2
7 . . . . . . . . . . . . . . . . -5.66 . . . . . 9 . N . 9 . HN parsed_2l2p 2
8 . . . . . . . . . . . . . . . . -15.67 . . . . . 10 . N . 10 . HN parsed_2l2p 2
9 . . . . . . . . . . . . . . . . -4.23 . . . . . 11 . N . 11 . HN parsed_2l2p 2
10 . . . . . . . . . . . . . . . . -14.28 . . . . . 12 . N . 12 . HN parsed_2l2p 2
11 . . . . . . . . . . . . . . . . 11.89 . . . . . 13 . N . 13 . HN parsed_2l2p 2
12 . . . . . . . . . . . . . . . . 4.73 . . . . . 14 . N . 14 . HN parsed_2l2p 2
13 . . . . . . . . . . . . . . . . 10.42 . . . . . 15 . N . 15 . HN parsed_2l2p 2
14 . . . . . . . . . . . . . . . . 4.29 . . . . . 18 . N . 18 . HN parsed_2l2p 2
15 . . . . . . . . . . . . . . . . -4.46 . . . . . 19 . N . 19 . HN parsed_2l2p 2
16 . . . . . . . . . . . . . . . . -28.06 . . . . . 20 . N . 20 . HN parsed_2l2p 2
17 . . . . . . . . . . . . . . . . -1.19 . . . . . 21 . N . 21 . HN parsed_2l2p 2
18 . . . . . . . . . . . . . . . . 1.48 . . . . . 22 . N . 22 . HN parsed_2l2p 2
19 . . . . . . . . . . . . . . . . -1.65 . . . . . 23 . N . 23 . HN parsed_2l2p 2
20 . . . . . . . . . . . . . . . . -10.68 . . . . . 24 . N . 24 . HN parsed_2l2p 2
21 . . . . . . . . . . . . . . . . 0.58 . . . . . 26 . N . 26 . HN parsed_2l2p 2
22 . . . . . . . . . . . . . . . . 12.97 . . . . . 27 . N . 27 . HN parsed_2l2p 2
23 . . . . . . . . . . . . . . . . 9.63 . . . . . 28 . N . 28 . HN parsed_2l2p 2
24 . . . . . . . . . . . . . . . . 4.88 . . . . . 29 . N . 29 . HN parsed_2l2p 2
25 . . . . . . . . . . . . . . . . 5.17 . . . . . 30 . N . 30 . HN parsed_2l2p 2
26 . . . . . . . . . . . . . . . . -15.47 . . . . . 32 . N . 32 . HN parsed_2l2p 2
27 . . . . . . . . . . . . . . . . 2.68 . . . . . 33 . N . 33 . HN parsed_2l2p 2
28 . . . . . . . . . . . . . . . . 3.76 . . . . . 36 . N . 36 . HN parsed_2l2p 2
29 . . . . . . . . . . . . . . . . -1.19 . . . . . 37 . N . 37 . HN parsed_2l2p 2
30 . . . . . . . . . . . . . . . . 26.64 . . . . . 38 . N . 38 . HN parsed_2l2p 2
31 . . . . . . . . . . . . . . . . -10.35 . . . . . 39 . N . 39 . HN parsed_2l2p 2
32 . . . . . . . . . . . . . . . . 13.42 . . . . . 40 . N . 40 . HN parsed_2l2p 2
33 . . . . . . . . . . . . . . . . 20.49 . . . . . 41 . N . 41 . HN parsed_2l2p 2
34 . . . . . . . . . . . . . . . . -21.78 . . . . . 42 . N . 42 . HN parsed_2l2p 2
35 . . . . . . . . . . . . . . . . -5.52 . . . . . 43 . N . 43 . HN parsed_2l2p 2
36 . . . . . . . . . . . . . . . . -18.83 . . . . . 44 . N . 44 . HN parsed_2l2p 2
37 . . . . . . . . . . . . . . . . -0.30 . . . . . 45 . N . 45 . HN parsed_2l2p 2
38 . . . . . . . . . . . . . . . . 12.12 . . . . . 47 . N . 47 . HN parsed_2l2p 2
39 . . . . . . . . . . . . . . . . 18.28 . . . . . 48 . N . 48 . HN parsed_2l2p 2
40 . . . . . . . . . . . . . . . . -4.60 . . . . . 50 . N . 50 . HN parsed_2l2p 2
41 . . . . . . . . . . . . . . . . 3.92 . . . . . 54 . N . 54 . HN parsed_2l2p 2
42 . . . . . . . . . . . . . . . . -17.49 . . . . . 55 . N . 55 . HN parsed_2l2p 2
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
assign (resid 501 and name OO ) (resid 501 and name Z )
(resid 501 and name Y ) (resid 501 and name X )
(resid 5 and name N ) (resid 5 and name HN ) 2.64 16.39
;
10 1 12 76 parsed_2l2p 2
2
;
assign (resid 501 and name OO ) (resid 501 and name Z )
(resid 501 and name Y ) (resid 501 and name X )
(resid 34 and name N ) (resid 34 and name HN ) 7.08 6.64
;
85 1 87 76 parsed_2l2p 2
3
;
assign (resid 501 and name OO ) (resid 501 and name Z )
(resid 501 and name Y ) (resid 501 and name X )
(resid 36 and name NE1 ) (resid 36 and name HE1 ) 0.59 6.36
;
91 1 93 76 parsed_2l2p 2
4
;
assign (resid 501 and name OO ) (resid 501 and name Z )
(resid 501 and name Y ) (resid 501 and name X )
(resid 37 and name NE1 ) (resid 37 and name HE1 ) -10.78 3.31
;
97 1 99 76 parsed_2l2p 2
5
;
assign (resid 501 and name OO ) (resid 501 and name Z )
(resid 501 and name Y ) (resid 501 and name X )
(resid 52 and name N ) (resid 52 and name HN ) 0.75 10.97
;
133 1 135 76 parsed_2l2p 2
6
;
assign (resid 501 and name OO ) (resid 501 and name Z )
(resid 501 and name Y ) (resid 501 and name X )
(resid 56 and name N ) (resid 56 and name HN ) 3.44 8.74
assign (resid 501 and name OO ) (resid 501 and name Z )
(resid 501 and name Y ) (resid 501 and name X )
(resid 58 and name N ) (resid 58 and name HN ) 0.60 2.26
assign (resid 501 and name OO ) (resid 501 and name Z )
(resid 501 and name Y ) (resid 501 and name X )
(resid 59 and name N ) (resid 59 and name HN ) -1.37 2.24
;
142 1 150 76 parsed_2l2p 2
stop_
save_
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