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 | subsubtype | item_count |
|
|
573884 |
2m5t   |
19079 | cing | 2-parsed | STAR | distance | general distance | simple | 8 |
data_2m5t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m5t
_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_2m5t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m5t
_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 2m5t "Master copy" parsed_2m5t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m5t
_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 2m5t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m5t 1
1 2m5t.mr . . DYANA/DIANA 2 distance NOE simple 1097 parsed_2m5t 1
1 2m5t.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 142 parsed_2m5t 1
1 2m5t.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 142 parsed_2m5t 1
1 2m5t.mr . . DYANA/DIANA 5 distance "general distance" simple 8 parsed_2m5t 1
1 2m5t.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m5t 1
stop_
save_
save_DYANA/DIANA_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m5t
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_2m5t 1
2 1 . . . parsed_2m5t 1
3 1 . . . parsed_2m5t 1
4 1 . . . parsed_2m5t 1
5 1 . . . parsed_2m5t 1
6 1 . . . parsed_2m5t 1
7 1 . . . parsed_2m5t 1
8 1 . . . parsed_2m5t 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 . . . . . . . . . 170 ZN ZN parsed_2m5t 1
1 1 2 . . . . . . . . . 51 CYSS SG parsed_2m5t 1
2 1 1 . . . . . . . . . 170 ZN ZN parsed_2m5t 1
2 1 2 . . . . . . . . . 53 CYSS SG parsed_2m5t 1
3 1 1 . . . . . . . . . 170 ZN ZN parsed_2m5t 1
3 1 2 . . . . . . . . . 111 CYSS SG parsed_2m5t 1
4 1 1 . . . . . . . . . 170 ZN ZN parsed_2m5t 1
4 1 2 . . . . . . . . . 113 HIS NE2 parsed_2m5t 1
5 1 1 . . . . . . . . . 170 ZN ZN parsed_2m5t 1
5 1 2 . . . . . . . . . 51 CYSS SG parsed_2m5t 1
6 1 1 . . . . . . . . . 170 ZN ZN parsed_2m5t 1
6 1 2 . . . . . . . . . 53 CYSS SG parsed_2m5t 1
7 1 1 . . . . . . . . . 170 ZN ZN parsed_2m5t 1
7 1 2 . . . . . . . . . 111 CYSS SG parsed_2m5t 1
8 1 1 . . . . . . . . . 170 ZN ZN parsed_2m5t 1
8 1 2 . . . . . . . . . 113 HIS NE2 parsed_2m5t 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 . . . . . . . 2.40 parsed_2m5t 1
2 1 . . . . . . . 2.40 parsed_2m5t 1
3 1 . . . . . . . 2.40 parsed_2m5t 1
4 1 . . . . . . . 2.20 parsed_2m5t 1
5 1 . . . . . . . 2.00 parsed_2m5t 1
6 1 . . . . . . . 2.00 parsed_2m5t 1
7 1 . . . . . . . 2.00 parsed_2m5t 1
8 1 . . . . . . . 1.80 parsed_2m5t 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 ----------------------------------------------------------------- 1 1 1 66 parsed_2m5t 1
2 "ZN Ligands" 2 1 2 34 parsed_2m5t 1
3 ----------------------------------------------------------------- 3 1 3 66 parsed_2m5t 1
4 ----------------------------------------------------------------- 8 1 8 66 parsed_2m5t 1
5 "ZN Geometry" 9 1 9 35 parsed_2m5t 1
6 ----------------------------------------------------------------- 10 1 10 66 parsed_2m5t 1
7 "111 CYSZ SG 51 CYS- SG 3.85 10.00E+00" 11 1 11 49 parsed_2m5t 1
8 "111 CYSZ SG 53 CYS- SG 3.85 10.00E+00" 12 1 12 49 parsed_2m5t 1
9 "111 CYSZ SG 113 HIS NE2 3.85 10.00E+00" 13 1 13 50 parsed_2m5t 1
10 "111 CYSZ ZN 51 CYS- CB 3.85 10.00E+00" 14 1 14 49 parsed_2m5t 1
11 "111 CYSZ ZN 53 CYS- CB 3.85 10.00E+00" 15 1 15 49 parsed_2m5t 1
12 ----------------------------------------------------------------- 16 1 16 66 parsed_2m5t 1
13 ----------------------------------------------------------------- 17 1 17 66 parsed_2m5t 1
14 "ZN Ligands" 18 1 18 34 parsed_2m5t 1
15 ----------------------------------------------------------------- 19 1 19 66 parsed_2m5t 1
16 ----------------------------------------------------------------- 24 1 24 66 parsed_2m5t 1
17 ----------------------------------------------------------------- 26 1 26 66 parsed_2m5t 1
18 "ZN Geometry" 27 1 27 35 parsed_2m5t 1
19 ----------------------------------------------------------------- 28 1 28 66 parsed_2m5t 1
20 "111 CYSZ SG 51 CYS- SG 3.85 10.00E+00" 29 1 29 49 parsed_2m5t 1
21 "111 CYSZ SG 53 CYS- SG 3.85 10.00E+00" 30 1 30 49 parsed_2m5t 1
22 "51 CYS- SG 53 CYS- SG 3.85 10.00E+00" 31 1 31 48 parsed_2m5t 1
23 "111 CYSZ SG 113 HIS NE2 3.85 10.00E+00" 33 1 33 50 parsed_2m5t 1
24 "51 CYS- SG 113 HIS NE2 3.85 10.00E+00" 34 1 34 49 parsed_2m5t 1
25 "53 CYS- SG 113 HIS NE2 3.85 10.00E+00" 35 1 35 49 parsed_2m5t 1
26 ----------------------------------------------------------------- 36 1 36 66 parsed_2m5t 1
stop_
save_
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