NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
645691 |
6jxx   |
cing | 2-parsed | STAR | entry | full | 58 |
data_6jxx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6jxx
_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_6jxx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6jxx
_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 6jxx "Master copy" parsed_6jxx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6jxx
_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 6jxx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6jxx 1
1 6jxx.mr . . XPLOR/CNS 2 distance NOE simple 58 parsed_6jxx 1
1 6jxx.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6jxx 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_6jxx
_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 PROTEIN BINDING/PEPTIDE 25-APR-19 6JXX
*TITLE SUMO2 BOUND TO PHOSPHORYLATED SLS4-SIM PEPTIDE FROM ICP0
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SMALL UBIQUITIN-RELATED MODIFIER 2;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: SUMO-2,HSMT3,SMT3 HOMOLOG 2,SUMO-3,SENTRIN-2,UBIQUITIN-LIKE
*COMPND 5 PROTEIN SMT3B,SMT3B;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 MOL_ID: 2;
*COMPND 8 MOLECULE: PHOSPHORYLATED SLS4 FROM E3 UBIQUITIN LIGASE ICP0;
*COMPND 9 CHAIN: B;
*COMPND 10 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: SUMO2;
*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: HUMAN ALPHAHERPESVIRUS 1 STRAIN 17;
*SOURCE 11 ORGANISM_TAXID: 10299
*KEYWDS SUMOYLATION, PHOSPHORYLATION, PROTEIN-BINDING-PEPTIDE COMPLEX,
*KEYWDS 2 PROTEIN BINDING-PEPTIDE COMPLEX
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR D.S.S.HEMBRAM,H.NEGI,D.SHET,R.DAS
*REVDAT 1 05-FEB-20 6JXX 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6jxx
_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_6jxx 1
2 1 . . . parsed_6jxx 1
3 1 . . . parsed_6jxx 1
4 1 . . . parsed_6jxx 1
5 1 . . . parsed_6jxx 1
6 1 . . . parsed_6jxx 1
7 1 . . . parsed_6jxx 1
8 1 . . . parsed_6jxx 1
9 1 . . . parsed_6jxx 1
10 1 . . . parsed_6jxx 1
11 1 . . . parsed_6jxx 1
12 1 . . . parsed_6jxx 1
13 1 . . . parsed_6jxx 1
14 1 . . . parsed_6jxx 1
15 1 . . . parsed_6jxx 1
16 1 . . . parsed_6jxx 1
17 1 . . . parsed_6jxx 1
18 1 . . . parsed_6jxx 1
19 1 . . . parsed_6jxx 1
20 1 . . . parsed_6jxx 1
21 1 . . . parsed_6jxx 1
22 1 . . . parsed_6jxx 1
23 1 . . . parsed_6jxx 1
24 1 . . . parsed_6jxx 1
25 1 . . . parsed_6jxx 1
26 1 . . . parsed_6jxx 1
27 1 . . . parsed_6jxx 1
28 1 . . . parsed_6jxx 1
29 1 . . . parsed_6jxx 1
30 1 . . . parsed_6jxx 1
31 1 . . . parsed_6jxx 1
32 1 . . . parsed_6jxx 1
33 1 . . . parsed_6jxx 1
34 1 . . . parsed_6jxx 1
35 1 . . . parsed_6jxx 1
36 1 . . . parsed_6jxx 1
37 1 . . . parsed_6jxx 1
38 1 . . . parsed_6jxx 1
39 1 . . . parsed_6jxx 1
40 1 . . . parsed_6jxx 1
41 1 . . . parsed_6jxx 1
42 1 . . . parsed_6jxx 1
43 1 . . . parsed_6jxx 1
44 1 . . . parsed_6jxx 1
45 1 . . . parsed_6jxx 1
46 1 . . . parsed_6jxx 1
47 1 . . . parsed_6jxx 1
48 1 . . . parsed_6jxx 1
49 1 . . . parsed_6jxx 1
50 1 . . . parsed_6jxx 1
51 1 . . . parsed_6jxx 1
52 1 . . . parsed_6jxx 1
53 1 . . . parsed_6jxx 1
54 1 . . . parsed_6jxx 1
55 1 . . . parsed_6jxx 1
56 1 . . . parsed_6jxx 1
57 1 . . . parsed_6jxx 1
58 1 . . . parsed_6jxx 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 28 . HA parsed_6jxx 1
1 1 2 . . . . . . . . B 358 . HA parsed_6jxx 1
2 1 1 . . . . . . . . A 28 . HA parsed_6jxx 1
2 1 2 . . . . . . . . B 358 . HB1 parsed_6jxx 1
3 1 1 . . . . . . . . A 28 . HB1 parsed_6jxx 1
3 1 2 . . . . . . . . B 360 . HB1 parsed_6jxx 1
4 1 1 . . . . . . . . A 29 . HA parsed_6jxx 1
4 1 2 . . . . . . . . B 359 . HA parsed_6jxx 1
5 1 1 . . . . . . . . A 29 . HA parsed_6jxx 1
5 1 2 . . . . . . . . B 360 . HN parsed_6jxx 1
6 1 1 . . . . . . . . A 29 . HA parsed_6jxx 1
6 1 2 . . . . . . . . B 360 . HB1 parsed_6jxx 1
7 1 1 . . . . . . . . A 29 . HA parsed_6jxx 1
7 1 2 . . . . . . . . B 360 . HB2 parsed_6jxx 1
8 1 1 . . . . . . . . A 29 . HB parsed_6jxx 1
8 1 2 . . . . . . . . B 358 . HB1 parsed_6jxx 1
9 1 1 . . . . . . . . A 29 . HG11 parsed_6jxx 1
9 1 2 . . . . . . . . B 359 . HA parsed_6jxx 1
10 1 1 . . . . . . . . A 29 . HG11 parsed_6jxx 1
10 1 2 . . . . . . . . B 359 . HB1 parsed_6jxx 1
11 1 1 . . . . . . . . A 29 . HG11 parsed_6jxx 1
11 1 2 . . . . . . . . B 360 . HN parsed_6jxx 1
12 1 1 . . . . . . . . A 30 . HA parsed_6jxx 1
12 1 2 . . . . . . . . B 360 . HN parsed_6jxx 1
13 1 1 . . . . . . . . A 30 . HA parsed_6jxx 1
13 1 2 . . . . . . . . B 360 . HA parsed_6jxx 1
14 1 1 . . . . . . . . A 30 . HG11 parsed_6jxx 1
14 1 2 . . . . . . . . B 360 . HB1 parsed_6jxx 1
15 1 1 . . . . . . . . A 30 . HG11 parsed_6jxx 1
15 1 2 . . . . . . . . B 362 . HG11 parsed_6jxx 1
16 1 1 . . . . . . . . A 30 . HG21 parsed_6jxx 1
16 1 2 . . . . . . . . B 362 . HD13 parsed_6jxx 1
17 1 1 . . . . . . . . A 32 . HA parsed_6jxx 1
17 1 2 . . . . . . . . B 361 . HA parsed_6jxx 1
18 1 1 . . . . . . . . A 32 . HA parsed_6jxx 1
18 1 2 . . . . . . . . B 362 . HN parsed_6jxx 1
19 1 1 . . . . . . . . A 32 . HA parsed_6jxx 1
19 1 2 . . . . . . . . B 362 . HB parsed_6jxx 1
20 1 1 . . . . . . . . A 32 . HA parsed_6jxx 1
20 1 2 . . . . . . . . B 362 . HG23 parsed_6jxx 1
21 1 1 . . . . . . . . A 32 . HD1 parsed_6jxx 1
21 1 2 . . . . . . . . B 362 . HD11 parsed_6jxx 1
22 1 1 . . . . . . . . A 32 . HE1 parsed_6jxx 1
22 1 2 . . . . . . . . B 362 . HG12 parsed_6jxx 1
23 1 1 . . . . . . . . A 33 . HA parsed_6jxx 1
23 1 2 . . . . . . . . B 364 . HN parsed_6jxx 1
24 1 1 . . . . . . . . A 33 . HB1 parsed_6jxx 1
24 1 2 . . . . . . . . B 363 . HG11 parsed_6jxx 1
25 1 1 . . . . . . . . A 33 . HG2 parsed_6jxx 1
25 1 2 . . . . . . . . B 363 . HG12 parsed_6jxx 1
26 1 1 . . . . . . . . A 33 . HD1 parsed_6jxx 1
26 1 2 . . . . . . . . B 363 . HG13 parsed_6jxx 1
27 1 1 . . . . . . . . A 33 . HD1 parsed_6jxx 1
27 1 2 . . . . . . . . B 363 . HG23 parsed_6jxx 1
28 1 1 . . . . . . . . A 34 . HA parsed_6jxx 1
28 1 2 . . . . . . . . B 363 . HA parsed_6jxx 1
29 1 1 . . . . . . . . A 34 . HA parsed_6jxx 1
29 1 2 . . . . . . . . B 364 . HN parsed_6jxx 1
30 1 1 . . . . . . . . A 34 . HA parsed_6jxx 1
30 1 2 . . . . . . . . B 364 . HA parsed_6jxx 1
31 1 1 . . . . . . . . A 34 . HG11 parsed_6jxx 1
31 1 2 . . . . . . . . B 364 . HG11 parsed_6jxx 1
32 1 1 . . . . . . . . A 37 . HE1 parsed_6jxx 1
32 1 2 . . . . . . . . B 367 . HB1 parsed_6jxx 1
33 1 1 . . . . . . . . A 37 . HE1 parsed_6jxx 1
33 1 2 . . . . . . . . B 367 . HB2 parsed_6jxx 1
34 1 1 . . . . . . . . A 38 . HG21 parsed_6jxx 1
34 1 2 . . . . . . . . B 364 . HB parsed_6jxx 1
35 1 1 . . . . . . . . A 38 . HG21 parsed_6jxx 1
35 1 2 . . . . . . . . B 364 . HG12 parsed_6jxx 1
36 1 1 . . . . . . . . A 38 . HG21 parsed_6jxx 1
36 1 2 . . . . . . . . B 364 . HG22 parsed_6jxx 1
37 1 1 . . . . . . . . A 38 . HG21 parsed_6jxx 1
37 1 2 . . . . . . . . B 364 . HD12 parsed_6jxx 1
38 1 1 . . . . . . . . A 38 . HG21 parsed_6jxx 1
38 1 2 . . . . . . . . B 365 . HN parsed_6jxx 1
39 1 1 . . . . . . . . A 42 . HG1 parsed_6jxx 1
39 1 2 . . . . . . . . B 364 . HG11 parsed_6jxx 1
40 1 1 . . . . . . . . A 42 . HG1 parsed_6jxx 1
40 1 2 . . . . . . . . B 364 . HD12 parsed_6jxx 1
41 1 1 . . . . . . . . A 42 . HD1 parsed_6jxx 1
41 1 2 . . . . . . . . B 364 . HG11 parsed_6jxx 1
42 1 1 . . . . . . . . A 42 . HD1 parsed_6jxx 1
42 1 2 . . . . . . . . B 365 . HN parsed_6jxx 1
43 1 1 . . . . . . . . A 42 . HE2 parsed_6jxx 1
43 1 2 . . . . . . . . B 365 . HN parsed_6jxx 1
44 1 1 . . . . . . . . A 42 . HE2 parsed_6jxx 1
44 1 2 . . . . . . . . B 365 . HA parsed_6jxx 1
45 1 1 . . . . . . . . A 42 . HE2 parsed_6jxx 1
45 1 2 . . . . . . . . B 365 . HB2 parsed_6jxx 1
46 1 1 . . . . . . . . A 42 . HE2 parsed_6jxx 1
46 1 2 . . . . . . . . B 364 . HD11 parsed_6jxx 1
47 1 1 . . . . . . . . A 43 . HA parsed_6jxx 1
47 1 2 . . . . . . . . B 364 . HD11 parsed_6jxx 1
48 1 1 . . . . . . . . A 43 . HG parsed_6jxx 1
48 1 2 . . . . . . . . B 364 . HD11 parsed_6jxx 1
49 1 1 . . . . . . . . A 43 . HD11 parsed_6jxx 1
49 1 2 . . . . . . . . B 364 . HG11 parsed_6jxx 1
50 1 1 . . . . . . . . A 43 . HD11 parsed_6jxx 1
50 1 2 . . . . . . . . B 364 . HD11 parsed_6jxx 1
51 1 1 . . . . . . . . A 46 . HB2 parsed_6jxx 1
51 1 2 . . . . . . . . B 362 . HA parsed_6jxx 1
52 1 1 . . . . . . . . A 46 . HB2 parsed_6jxx 1
52 1 2 . . . . . . . . B 362 . HG1 parsed_6jxx 1
53 1 1 . . . . . . . . A 46 . HB2 parsed_6jxx 1
53 1 2 . . . . . . . . B 362 . HD11 parsed_6jxx 1
54 1 1 . . . . . . . . A 47 . HB2 parsed_6jxx 1
54 1 2 . . . . . . . . B 362 . HG11 parsed_6jxx 1
55 1 1 . . . . . . . . A 50 . HB1 parsed_6jxx 1
55 1 2 . . . . . . . . B 362 . HD11 parsed_6jxx 1
56 1 1 . . . . . . . . A 50 . HG1 parsed_6jxx 1
56 1 2 . . . . . . . . B 360 . HB2 parsed_6jxx 1
57 1 1 . . . . . . . . A 50 . HG1 parsed_6jxx 1
57 1 2 . . . . . . . . B 361 . HD2 parsed_6jxx 1
58 1 1 . . . . . . . . A 50 . HG1 parsed_6jxx 1
58 1 2 . . . . . . . . B 362 . HD11 parsed_6jxx 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 . . . . . 5 3.2 5.5 parsed_6jxx 1
2 1 . . . . . 4 2.2 4.5 parsed_6jxx 1
3 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
4 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
5 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
6 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
7 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
8 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
9 1 . . . . . 3 1.2 3.5 parsed_6jxx 1
10 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
11 1 . . . . . 4 2.2 4.5 parsed_6jxx 1
12 1 . . . . . 3 1.2 3.5 parsed_6jxx 1
13 1 . . . . . 4 2.2 4.5 parsed_6jxx 1
14 1 . . . . . 4 2.2 4.5 parsed_6jxx 1
15 1 . . . . . 2 0.2 2.5 parsed_6jxx 1
16 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
17 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
18 1 . . . . . 3 1.2 3.5 parsed_6jxx 1
19 1 . . . . . 4 2.2 4.5 parsed_6jxx 1
20 1 . . . . . 4 2.2 4.5 parsed_6jxx 1
21 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
22 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
23 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
24 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
25 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
26 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
27 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
28 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
29 1 . . . . . 4 2.2 4.5 parsed_6jxx 1
30 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
31 1 . . . . . 4 2.2 4.5 parsed_6jxx 1
32 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
33 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
34 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
35 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
36 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
37 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
38 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
39 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
40 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
41 1 . . . . . 2 0.2 2.5 parsed_6jxx 1
42 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
43 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
44 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
45 1 . . . . . 7 5.2 7.5 parsed_6jxx 1
46 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
47 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
48 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
49 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
50 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
51 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
52 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
53 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
54 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
55 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
56 1 . . . . . 6 4.2 6.5 parsed_6jxx 1
57 1 . . . . . 5 3.2 5.5 parsed_6jxx 1
58 1 . . . . . 5 3.2 5.5 parsed_6jxx 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: xplor-Intnoes-SUMO2PPSIM4.list" 1 1 1 51 parsed_6jxx 1
stop_
save_
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