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
	28427	2yuq	10211	cing	1-original	MR format	comment

*HEADER    TRANSFERASE                             06-APR-07   2YUQ              
*TITLE     SOLUTION STRUCTURE OF THE SH3 DOMAIN OF HUMAN TYROSINE-               
*TITLE    2 PROTEIN KINASE ITK/TSK                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH3 DOMAIN;                                                
*COMPND   5 SYNONYM: T-CELL-SPECIFIC KINASE, TYROSINE-PROTEIN KINASE             
*COMPND   6 LYK, KINASE EMT;                                                     
*COMPND   7 EC: 2.7.10.2;                                                        
*COMPND   8 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: ITK;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE PROTEIN SYNTHESIS;                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: P060821-01                                
*KEYWDS    T-CELL-SPECIFIC KINASE, TYROSINE-PROTEIN KINASE LYK, KINASE           
*KEYWDS   2 EMT, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON                
*KEYWDS   3 PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN                    
*KEYWDS   4 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,                     
*KEYWDS   5 TRANSFERASE                                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.ABE, K.MIYAMOTO, N.TOCHIO, M.SATO, S.KOSHIBA, T.HARADA,             
*AUTHOR   2 S.WATANABE, T.KIGAWA, S.YOKOYAMA, RIKEN STRUCTURAL                   
*AUTHOR   3 GENOMICS/PROTEOMICS INITIATIVE (RSGI)                                
*REVDAT   2   14-JUL-09 2YUQ    1       REVISED CONSTRAINT DATA                    
*REVDAT   1   12-MAY-09 2YUQ    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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