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 subtype
34436 1jwd 4430 cing 2-parsed STAR entry full


data_1jwd_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1jwd 
    _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_1jwd   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1jwd 
    _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   1jwd   "Master copy"    parsed_1jwd   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1jwd 
    _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   1jwd.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1jwd   1   
        1   1jwd.mr   .   .   "MR format"    2    distance                  NOE                 simple             0   parsed_1jwd   1   
        1   1jwd.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"    0   parsed_1jwd   1   
        1   1jwd.mr   .   .   "MR format"    4    distance                  NOE                 simple             0   parsed_1jwd   1   
        1   1jwd.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1jwd   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_1jwd 
    _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    METAL BINDING PROTEIN                   04-SEP-01   1JWD              
*TITLE     CA2+-INDUCED STRUCTURAL CHANGES IN CALCYCLIN: HIGH-                   
*TITLE    2 RESOLUTION SOLUTION STRUCTURE OF CA2+-BOUND CALCYCLIN.               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALCYCLIN;                                                 
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 SYNONYM: LUNG 10 KDA PROTEIN;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS;                          
*SOURCE   3 ORGANISM_COMMON: RABBIT;                                             
*SOURCE   4 ORGAN: LUNG;                                                         
*SOURCE   5 GENE: R-S100A6;                                                      
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: DE3;                                       
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET1120                                   
*KEYWDS    CA(2+)-BINDING PROTEIN, S100 PROTEIN, EF-HAND,    S100A6              
*EXPDTA    NMR, 22 STRUCTURES                                                    
*AUTHOR    L.MALER, M.SASTRY, W.J.CHAZIN                                         
*REVDAT   1   27-MAR-02 1JWD    0                                                


REMARK   3
REMARK   3 APO CALCYCLIN NMR RESTRAINTS USED IN STRUCTURE
REMARK   3 DETERMINATION. COMPLETE LIST OF NOE AND DIHEDRAL ANGLE
REMARK   3 RESTRAINTS. RESTAINTS ARE REPORTED FOR THE MONOMER UNIT
REMARK   3
REMARK   3
REMARK   3      TABLE OF DIHEDRAL ANGLE RESTRAINT BOUNDS
REMARK   3   -------------------------------------------------------
REMARK   3
;

save_


save_MR_file_comment_3
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1jwd 
    _Org_constr_file_comment.ID                  2 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            3 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
REMARK   3   TABLE OF DISTANCE RESTRAINT UPPER BOUNDS (IN ANGSTROMS)
REMARK   3          ATOM 1            ATOM 2      DISTBND
REMARK   3        -----------------------------------------------
REMARK   3
;

save_





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