BMRB

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
460333 2d8h RC 11213 cing 1-original MR format comment


*HEADER    UNKNOWN FUNCTION                        06-DEC-05   2D8H              
*TITLE     SOLUTION STRUCTURE OF THE SH3 DOMAIN OF HYPOTHETICAL                  
*TITLE    2 PROTEIN SH3YL1                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SH3YL1 PROTEIN;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH3 DOMAIN;                                                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: SH3YL1;                                                        
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P050425-18;                               
*SOURCE   8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS                           
*KEYWDS    SH3 DOMAIN, HYPOTHETICAL PROTEIN SH3YL1, STRUCTURAL                   
*KEYWDS   2 GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL             
*KEYWDS   3 AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL                            
*KEYWDS   4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    X.R.QIN, T.NAGASIMA, F.HAYASHI, S.YOKOYAMA, RIKEN                     
*AUTHOR   2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)                     
*REVDAT   1   12-MAY-09 2D8H    0                                                

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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.
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