NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage program type subtype
35344 1lcc cing 2-parsed STAR entry full 

data_1lcc_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1lcc 
    _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_1lcc   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1lcc 
    _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   1lcc   "Master copy"    parsed_1lcc   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1lcc 
    _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   1lcc.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1lcc   1   
        1   1lcc.mr   .   .   "MR format"    2    distance                  NOE                 simple             0   parsed_1lcc   1   
        1   1lcc.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1lcc   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_1lcc 
    _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   GENE-REGULATING PROTEIN                 25-MAR-93   1LCC    
*COMPND   LAC REPRESSOR ("HEADPIECE") COMPLEX WITH AN 11 BASE-PAIR    
*COMPND  2 HALF-OPERATOR CORRESPONDING TO THE LEFT HALF OF THE WILD   
*COMPND  3 TYPE LAC OPERATOR (NMR, BEST STRUCTURE)                    
*SOURCE   LAC REPRESSOR: (ESCHERICHIA COLI, STRAIN BMH 74-12);        
*SOURCE  2 DNA: SYNTHETIC                                             
*AUTHOR   V.P.CHUPRINA,J.A.C.RULLMANN,R.M.J.N.LAMERICHS,              
*AUTHOR  2 J.H.VAN BOOM,R.BOELENS,R.KAPTEIN                           
*REVDAT  1   31-JAN-94 1LCC    0                                      


REMARK   2
REMARK   2 From 2D NOE measurements of the complex in
REMARK   2 aqueous solution a total of 508 distances was derived,
REMARK   2 of which 260 are within the headpiece, 212 within the
REMARK   2 operator and 36 between headpiece and the operator.
REMARK   2 Most of these distances were measured by analysing the
REMARK   2 initial rate of the NOE buildup as a function of the mixing
REMARK   2 time. A number of known and fixed distances were used to
REMARK   2 define a calibration scale. Computed interproton distances
REMARK   2 were converted to upper and lower distance bounds by adding
REMARK   2 or subtracting 10 percent of the distances. Pseudo-atom
REMARK   2 corrections, if needed, were applied afterwards. For most
REMARK   2 protein-DNA contacts the buildup rates were considered to 
REMARK   2 be less reliable, and upper bound estimates of 4 or 6 
REMARK   2 Angstrom were used.
REMARK   2 In total 508 upper bound and 472 lower bound constraints
REMARK   2 were obtained.
REMARK   2
;

save_

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