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
	459868	1x45	11210	cing	1-original	MR format	comment

*HEADER    ENDOCYTOSIS/EXOCYTOSIS                  13-MAY-05   1X45              
*TITLE     SOLUTION STRUCTURE OF THE FIRST PDZ DOMAIN OF AMYLOID BETA            
*TITLE    2 A4 PRECURSOR PROTEIN-BINDING FAMILY A, MEMBER 1                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMYLOID BETA (A4) PRECURSOR PROTEIN-BINDING,               
*COMPND   3 FAMILY A, MEMBER 1 (X11);                                            
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: PDZ DOMAIN;                                                
*COMPND   6 SYNONYM: NEURON-SPECIFIC XII PROTEIN, NEURONAL MUNC18-1-             
*COMPND   7 INTERACTING PROTEIN 1, MINT-1, ADAPTER PROTEIN X11 ALPHA;            
*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: APBA1, MINT1, X11;                                             
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P050118-02;                               
*SOURCE   8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS                           
*KEYWDS    PDZ DOMAIN, AMYLOID BETA A4 PRECURSOR PROTEIN-BINDING                 
*KEYWDS   2 FAMILY A, MEMBER 1, NEURON-SPECIFIC XII PROTEIN, ADAPTER             
*KEYWDS   3 PROTEIN XII ALPHA, NEURONAL MUNC 18-1-INTERACTING PROTEIN 1          
*KEYWDS   4 MINT-1, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON             
*KEYWDS   5 PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN                    
*KEYWDS   6 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,                     
*KEYWDS   7 ENDOCYTOSIS/EXOCYTOSIS COMPLEX                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    X.R.QIN, F.HAYASHI, S.YOKOYAMA, RIKEN STRUCTURAL                      
*AUTHOR   2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)                                
*REVDAT   1   12-MAY-09 1X45    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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