NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type
40372 1v5q 10109 cing 2-parsed STAR comment


data_1v5q_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1v5q 
    _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_1v5q   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1v5q 
    _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   1v5q   "Master copy"    parsed_1v5q   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1v5q 
    _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   1v5q.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1v5q   1   
        1   1v5q.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1v5q   1   
        1   1v5q.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple             0   parsed_1v5q   1   
        1   1v5q.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1v5q   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_1v5q 
    _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                         25-NOV-03   1V5Q              
*TITLE     SOLUTION STRUCTURE OF THE PDZ DOMAIN FROM MOUSE GLUTAMATE             
*TITLE    2 RECEPTOR INTERACTING PROTEIN 1A-L (GRIP1) HOMOLOG                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLUTAMATE RECEPTOR INTERACTING PROTEIN 1A-L                
*COMPND   3 HOMOLOG;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: PDZ DOMAIN;                                                
*COMPND   6 SYNONYM: GRIP1 HOMOLOG;                                              
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: HOUSE MOUSE;                                        
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: RIKEN CDNA 4931400F03;                                         
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P030203-74;                               
*SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
*KEYWDS    PDZ DOMAIN, CELLULAR SIGNALING, STRUCTURAL GENOMICS, RIKEN            
*KEYWDS   2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, PROTEIN             
*KEYWDS   3 BINDING                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.SATO, N.TOCHIO, S.KOSHIBA, M.INOUE, T.KIGAWA, S.YOKOYAMA,           
*AUTHOR   2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)               
*REVDAT   1   12-MAY-09 1V5Q    0                                                

**************************************************************
During the CYANA calculations automatic implicit swapping of restraints 
involving diastereotopic substitutents was applied for prochrial groups 
without stereospecific assignment. Diastereotopic substitents were 
swapped individually in each conformer to calculate the minimal target 
function and restraint violations.
The optimal swapping for a given prochiral group may differ among 
the 20 conformers that represent the solution structure. The swapping 
is therefore performed implicitly in the program and is not reflected 
in the distance restraint file deposited in the PDB.
**************************************************************

;

save_





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