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
14858 1x5k 11111 cing 1-original MR format comment


*HEADER    CELL ADHESION                           15-MAY-05   1X5K              
*TITLE     THE SOLUTION STRUCTURE OF THE SIXTH FIBRONECTIN TYPE III              
*TITLE    2 DOMAIN OF HUMAN NEOGENIN                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEOGENIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FN3 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: NEO1;                                                          
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P041213-07;                               
*SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
*KEYWDS    RGM BINDING, FIBRONECTIN TYPE III DOMAIN, STRUCTURAL                  
*KEYWDS   2 GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL             
*KEYWDS   3 AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL                            
*KEYWDS   4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, CELL ADHESION                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, S.KOSHIBA, M.INOUE, T.KIGAWA, S.YOKOYAMA, RIKEN             
*AUTHOR   2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)                     
*REVDAT   1   12-MAY-09 1X5K    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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