NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	program	type
	19234	2eej	cing	1-original	MR format	comment

*HEADER    METAL BINDING PROTEIN                   15-FEB-07   2EEJ              
*TITLE     SOLUTION STRUCTURE OF FOURTH PDZ DOMAIN OF PDZ DOMAIN                 
*TITLE    2 CONTAINING PROTEIN 1                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PDZ DOMAIN-CONTAINING PROTEIN 1;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: PDZ DOMAIN;                                                
*COMPND   5 SYNONYM: CFTR-ASSOCIATED PROTEIN OF 70 KDA, NA/PI                    
*COMPND   6 COTRANSPORTER C-TERMINAL-ASSOCIATED PROTEIN, NAPI-CAP1,              
*COMPND   7 NA(+)/H(+) EXCHANGER REGULATORY FACTOR 3, SODIUM-HYDROGEN            
*COMPND   8 EXCHANGER REGULATORY FACTOR 3;                                       
*COMPND   9 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: PDZK1;                                                         
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P050905-18;                               
*SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
*KEYWDS    PDZ DOMAIN, REGULATORY FACTOR, STRUCTURAL GENOMICS, NPPSFA,           
*KEYWDS   2 NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL                
*KEYWDS   3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE,           
*KEYWDS   4 RSGI, METAL BINDING PROTEIN                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.N.NIRAULA, T.TOMIZAWA, K.KOSHIBA, M.INOUE, T.KIGAWA,                
*AUTHOR   2 S.YOKOYAMA, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE          
*AUTHOR   3 (RSGI)                                                               
*REVDAT   1   12-MAY-09 2EEJ    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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