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 |
|
|
537495 |
2ll4   |
17667 | cing | 2-parsed | STAR | entry | full | 7 |
data_2ll4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ll4
_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_2ll4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ll4
_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 2ll4 "Master copy" parsed_2ll4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ll4
_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 2ll4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ll4 1
1 2ll4.mr . . HADDOCK 2 distance NOE ambi 0 parsed_2ll4 1
1 2ll4.mr . . XPLOR/CNS 3 distance NOE simple 7 parsed_2ll4 1
1 2ll4.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ll4 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_2ll4
_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 CELL ADHESION 26-OCT-11 2LL4
*TITLE HADDOCK STRUCTURE OF TGMIC4-A5/LACTO-N-BIOSE COMPLEX, BASED ON NOE-
*TITLE 2 DERIVED DISTANCE RESTRAINTS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: MICRONEMAL PROTEIN 4;
*COMPND 3 CHAIN: M;
*COMPND 4 FRAGMENT: APPLE-5 DOMAIN RESIDUES 410-491;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII;
*SOURCE 3 ORGANISM_TAXID: 5811;
*SOURCE 4 GENE: MIC4, TGIB.0680;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 7 EXPRESSION_SYSTEM_STRAIN: ORIGAMI B (DE3);
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET-32 XA/LIC
*KEYWDS CELL ADHESION
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR B.COWPER, S.MATTHEWS
*REVDAT 1 04-APR-12 2LL4 0
;
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ll4
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2ll4 1
2 1 . . . parsed_2ll4 1
3 1 . . . parsed_2ll4 1
4 1 . . . parsed_2ll4 1
5 1 . . . parsed_2ll4 1
6 1 . . . parsed_2ll4 1
7 1 . . . parsed_2ll4 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 . . . . . . . . MIC4 67 . HE* parsed_2ll4 1
1 1 2 . . . . . . . . GLYC 1 . H2 parsed_2ll4 1
2 1 1 . . . . . . . . MIC4 58 . HD* parsed_2ll4 1
2 1 2 . . . . . . . . GLYC 1 . H3 parsed_2ll4 1
3 1 1 . . . . . . . . MIC4 58 . HD* parsed_2ll4 1
3 1 2 . . . . . . . . GLYC 1 . H4 parsed_2ll4 1
4 1 1 . . . . . . . . MIC4 69 . HD* parsed_2ll4 1
4 1 2 . . . . . . . . GLYC 2 . HC2* parsed_2ll4 1
5 1 1 . . . . . . . . MIC4 69 . HE* parsed_2ll4 1
5 1 2 . . . . . . . . GLYC 2 . HC2* parsed_2ll4 1
6 1 1 . . . . . . . . MIC4 69 . HD* parsed_2ll4 1
6 1 2 . . . . . . . . GLYC 1 . H6* parsed_2ll4 1
7 1 1 . . . . . . . . MIC4 69 . HE* parsed_2ll4 1
7 1 2 . . . . . . . . GLYC 1 . H6* parsed_2ll4 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 . . . . . 5.00 3.20 5.00 parsed_2ll4 1
2 1 . . . . . 5.00 3.20 5.00 parsed_2ll4 1
3 1 . . . . . 5.00 3.20 5.00 parsed_2ll4 1
4 1 . . . . . 5.00 3.20 5.00 parsed_2ll4 1
5 1 . . . . . 5.00 3.20 5.00 parsed_2ll4 1
6 1 . . . . . 5.00 3.20 5.00 parsed_2ll4 1
7 1 . . . . . 5.00 3.20 5.00 parsed_2ll4 1
stop_
save_
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