1mvm.pdb

很多二维 三维几何计算算法 C++ 类库

HEADER    COMPLEX(VIRAL COAT PROTEIN/DNA)         21-JUN-96   1MVM              
TITLE     MVM(STRAIN I), COMPLEX(VIRAL COAT/DNA), VP2, PH=7.5,                  
TITLE    2 T=4 DEGREES C                                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MURINE MINUTE VIRUS COAT PROTEIN;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 MOL_ID: 2;                                                           
COMPND   5 MOLECULE: DNA FRAGMENT;                                              
COMPND   6 CHAIN: B;                                                            
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 3;                                                           
COMPND   9 MOLECULE: DNA FRAGMENT;                                              
COMPND  10 CHAIN: C;                                                            
COMPND  11 ENGINEERED: YES;                                                     
COMPND  12 MOL_ID: 4;                                                           
COMPND  13 MOLECULE: DNA FRAGMENT;                                              
COMPND  14 CHAIN: D;                                                            
COMPND  15 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MURINE MINUTE VIRUS;                            
SOURCE   3 STRAIN: STRAIN I (IMMUNOSUPPRESSIVE);                                
SOURCE   4 CELL_LINE: 549 MURINE LYMPHOMA CELLS;                                
SOURCE   5 MOL_ID: 2;                                                           
SOURCE   6 SYNTHETIC: YES;                                                      
SOURCE   7 MOL_ID: 3;                                                           
SOURCE   8 SYNTHETIC: YES;                                                      
SOURCE   9 MOL_ID: 4;                                                           
SOURCE  10 SYNTHETIC: YES                                                       
KEYWDS    COMPLEX (VIRAL COAT PROTEIN/DNA), VIRAL COAT                          
KEYWDS   2 PROTEIN/NUCLEIC ACID                                                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.L.LLAMAS-SAIZ,M.AGBANDJE-MCKENNA,M.G.ROSSMANN                       
REVDAT   1   25-FEB-98 1MVM    0                                                
JRNL        AUTH   A.L.LLAMAS-SAIZ,M.AGBANDJE-MCKENNA,W.R.WIKOFF,               
JRNL        AUTH 2 J.BRATTON,P.TATTERSALL,M.G.ROSSMANN                          
JRNL        TITL   STRUCTURE DETERMINATION OF MINUTE VIRUS OF MICE              
JRNL        REF    ACTA CRYSTALLOGR.,SECT.D      V.  53    93 1997              
JRNL        REFN   ASTM ABCRE6  DK ISSN 0907-4449                 0766          
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   M.AGBANDJE-MCKENNA,A.L.LLAMAS-SAIZ,F.WENG,                   
REMARK   1  AUTH 2 P.J.TATTERSALL,M.G.ROSSMANN                                  
REMARK   1  TITL   FUNCTIONAL IMPLICATIONS OF THE STRUCTURE OF THE              
REMARK   1  TITL 2 MURINE PARVOVIRUS, MINUTE VIRUS OF MICE                      
REMARK   1  REF    TO BE PUBLISHED                                              
REMARK   1  REFN                                                  0353          
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   M.S.CHAPMAN,M.G.ROSSMANN                                     
REMARK   1  TITL   STRUCTURE, SEQUENCE, AND FUNCTION CORRELATIONS               
REMARK   1  TITL 2 AMONG PARVOVIRUSES                                           
REMARK   1  REF    VIROLOGY                      V. 194   491 1993              
REMARK   1  REFN   ASTM VIRLAX  US ISSN 0042-6822                 0922          
REMARK   1 REFERENCE 3                                                          
REMARK   1  AUTH   M.AGBANDJE,R.MCKENNA,M.G.ROSSMANN,M.L.STRASSHEIM,            
REMARK   1  AUTH 2 C.R.PARRISH                                                  
REMARK   1  TITL   STRUCTURE DETERMINATION OF FELINE PANLEUKOPENIA              
REMARK   1  TITL 2 VIRUS EMPTY PARTICLES                                        
REMARK   1  REF    PROTEINS: STRUCT.,FUNCT.,     V.  16   155 1993              
REMARK   1  REF  2 GENET.                                                       
REMARK   1  REFN   ASTM PSFGEY  US ISSN 0887-3585                 0867          
REMARK   1 REFERENCE 4                                                          
REMARK   1  AUTH   H.WU,W.KELLER,M.G.ROSSMANN                                   
REMARK   1  TITL   DETERMINATION AND REFINEMENT OF THE CANINE                   
REMARK   1  TITL 2 PARVOVIRUS EMPTY-CAPSID STRUCTURE                            
REMARK   1  REF    ACTA CRYSTALLOGR.,SECT.D      V.  49   572 1993              
REMARK   1  REFN   ASTM ABCRE6  DK ISSN 0907-4449                 0766          
REMARK   1 REFERENCE 5                                                          
REMARK   1  AUTH   L.J.BALL-GOODRICH,P.TATTERSALL                               
REMARK   1  TITL   TWO AMINO ACID SUBSTITUTIONS WITHIN THE CAPSID ARE           
REMARK   1  TITL 2 COORDINATELY REQUIRED FOR ACQUISITION OF                     
REMARK   1  TITL 3 FIBROTROPISM BY THE LYMPHOTROPIC STRAIN OF MINUTE            
REMARK   1  TITL 4 VIRUS OF MICE                                                
REMARK   1  REF    J.VIROL.                      V.  66  3415 1992              
REMARK   1  REFN   ASTM JOVIAM  US ISSN 0022-538X                 0825          
REMARK   1 REFERENCE 6                                                          
REMARK   1  AUTH   J.TSAO,M.S.CHAPMAN,H.WU,M.AGBANDJE,W.KELLER,                 
REMARK   1  AUTH 2 M.G.ROSSMANN                                                 
REMARK   1  TITL   STRUCTURE DETERMINATION OF MONOCLINIC CANINE                 
REMARK   1  TITL 2 PARVOVIRUS                                                   
REMARK   1  REF    ACTA CRYSTALLOGR.,SECT.B      V.  48    75 1992              
REMARK   1  REFN   ASTM ASBSDK  DK ISSN 0108-7681                 0622          
REMARK   1 REFERENCE 7                                                          
REMARK   1  AUTH   J.TSAO,M.S.CHAPMAN,M.AGBANDJE,W.KELLER,K.SMITH,              
REMARK   1  AUTH 2 H.WU,M.LUO,T.J.SMITH,M.G.ROSSMANN,R.W.COMPANS,               
REMARK   1  AUTH 3 C.R.PARRISH                                                  
REMARK   1  TITL   THE THREE-DIMENSIONAL STRUCTURE OF CANINE                    
REMARK   1  TITL 2 PARVOVIRUS AND ITS FUNCTIONAL IMPLICATIONS                   
REMARK   1  REF    SCIENCE                       V. 251  1456 1991              
REMARK   1  REFN   ASTM SCIEAS  US ISSN 0036-8075                 0038          
REMARK   2                                                                      
REMARK   2 RESOLUTION. 3.5  ANGSTROMS.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : NONE                                                 
REMARK   3   AUTHORS     : NONE                                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURE HAS NOT BEEN REFINED YET.  THE MODEL HAS              
REMARK   3  BEEN VISUALLY FITTED TO THE ELECTRONIC DENSITY AND REFINED          
REMARK   3  USING THE REFI ALGORITHM AS IMPLEMENTED IN THE O PROGRAM.           
REMARK   4                                                                      
REMARK   4 1MVM COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996                        
REMARK   6                                                                      
REMARK   6 SIXTEEN NUCLEOTIDES OF THE GENOMIC SINGLE-STRANDED DNA ARE           
REMARK   6 BOUND TO EACH OF THE 60 PROTOMERS OF THE CAPSID, TOGETHER            
REMARK   6 CONSTITUTING 20 PERCENT OF THE GENOME.  THE ELECTRON                 
REMARK   6 DENSITY IS THE AVERAGE OF UP TO 60 DIFFERENT REGIONS OF THE          
REMARK   6 DNA SEQUENCE.  THUS, THE ELECTRON DENSITY FOR EACH BASE IS           
REMARK   6 EXPECTED TO BE BLURRED AS IT IS THE AVERAGE OF MANY BASES.           
REMARK   6 HOWEVER, FOR MANY OF THE NUCLEOTIDES, THE ELECTRON DENSITY           
REMARK   6 IS DISTINCTIVE FOR PURINE OR PYRIMIDINE, AND IN SOME CASES           
REMARK   6 FOR INDIVIDUAL BASE-TYPE.  THIS SHOWS THAT THERE IS SOME             
REMARK   6 SEQUENCE PREFERENCE.                                                 
REMARK   6                                                                      
REMARK   6 INTERPRETABLE ELECTRON DENSITY BEGINS AT THE 39TH RESIDUE            
REMARK   6 OF VP2.  THERE IS DIFFUSE DENSITY, SUGGESTING THAT ONE IN            
REMARK   6 FIVE OF THE N-TERMINI IS ON THE OUTSIDE OF THE CAPSID, AND           
REMARK   6 THAT THE POLYPEPTIDE RUNS DOWN THE FIVE-FOLD AXIS TO JOIN            
REMARK   6 RESIDUE 39 ON THE INSIDE SURFACE.                                    
REMARK   6                                                                      
REMARK   6 ELECTRON DENSITY FOR RESIDUES 157 - 165 IS VERY WEAK.                
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : JAN-1993, SEP-1993,                
REMARK 200                                   APR-1994, JUN-1994,                
REMARK 200                                   NOV-1994                           
REMARK 200  TEMPERATURE           (KELVIN) : 277                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 35                                 
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : CHESS                              
REMARK 200  BEAMLINE                       : F1                                 
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.91                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : FUJI                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : PURDUE                             
REMARK 200  DATA SCALING SOFTWARE          : PURDUE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.5                                
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.                                
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : 1.7                                
REMARK 200  R MERGE                    (I) : 0.155                              
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL