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Database: PDB
Entry: 4XCR
LinkDB: 4XCR
Original site: 4XCR 
HEADER    OXIDOREDUCTASE                          18-DEC-14   4XCR              
TITLE     MONOMERIC HUMAN CU,ZN SUPEROXIDE DISMUTASE, LOOPS IV AND VII DELETED, 
TITLE    2 APO FORM, MUTANT I35A                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN];                              
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: SUPEROXIDE DISMUTASE 1,HSOD1;                               
COMPND   5 EC: 1.15.1.1;                                                        
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: SOD1;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    OXIDOREDUCTASE                                                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    H.WANG,D.T.LOGAN,J.DANIELSSON,X.MU,A.BINOLFI,F.THEILLET,B.BEKEI,      
AUTHOR   2 L.LANG,H.WENNERSTROM,P.SELENKO,M.OLIVEBERG                           
REVDAT   3   28-NOV-18 4XCR    1       JRNL                                     
REVDAT   2   17-JAN-18 4XCR    1       REMARK                                   
REVDAT   1   20-JAN-16 4XCR    0                                                
JRNL        AUTH   J.DANIELSSON,X.MU,L.LANG,H.WANG,A.BINOLFI,F.X.THEILLET,      
JRNL        AUTH 2 B.BEKEI,D.T.LOGAN,P.SELENKO,H.WENNERSTROM,M.OLIVEBERG        
JRNL        TITL   THERMODYNAMICS OF PROTEIN DESTABILIZATION IN LIVE CELLS.     
JRNL        REF    PROC. NATL. ACAD. SCI.        V. 112 12402 2015              
JRNL        REF  2 U.S.A.                                                       
JRNL        REFN                   ESSN 1091-6490                               
JRNL        PMID   26392565                                                     
JRNL        DOI    10.1073/PNAS.1511308112                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX                                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 46.13                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 93.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 2197                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.191                           
REMARK   3   R VALUE            (WORKING SET) : 0.185                           
REMARK   3   FREE R VALUE                     : 0.239                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.970                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 219                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 46.1368 -  4.5376    0.92      983   109  0.1823 0.2424        
REMARK   3     2  4.5376 -  3.6021    0.94      995   110  0.1889 0.2355        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.290            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.820           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 58.23                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: 0.7910                                                   
REMARK   3   OPERATOR: H, K, L                                                  
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.004           1562                                  
REMARK   3   ANGLE     :  0.780           2110                                  
REMARK   3   CHIRALITY :  0.033            244                                  
REMARK   3   PLANARITY :  0.002            280                                  
REMARK   3   DIHEDRAL  : 14.062            540                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 2                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN A                                                
REMARK   3    ORIGIN FOR THE GROUP (A): -18.6865 -17.8364  11.8354              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6868 T22:   0.4132                                     
REMARK   3      T33:   0.5507 T12:  -0.0279                                     
REMARK   3      T13:  -0.0131 T23:   0.0457                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2874 L22:   3.4421                                     
REMARK   3      L33:   6.6129 L12:  -2.0980                                     
REMARK   3      L13:   1.6125 L23:   0.3200                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0681 S12:  -0.5034 S13:  -0.3838                       
REMARK   3      S21:   0.5120 S22:   0.2448 S23:  -0.2006                       
REMARK   3      S31:  -0.1378 S32:   0.0019 S33:  -0.0000                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN B                                                
REMARK   3    ORIGIN FOR THE GROUP (A): -16.0756 -21.9857 -12.0035              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4730 T22:   0.8250                                     
REMARK   3      T33:   0.6126 T12:   0.0678                                     
REMARK   3      T13:  -0.0953 T23:  -0.0843                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9135 L22:   4.1673                                     
REMARK   3      L33:   4.9130 L12:  -1.7663                                     
REMARK   3      L13:  -0.1276 L23:  -1.6683                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1314 S12:   0.8660 S13:   0.3175                       
REMARK   3      S21:  -0.4676 S22:  -0.0803 S23:   0.4236                       
REMARK   3      S31:   0.4801 S32:   0.0226 S33:  -0.0002                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4XCR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 18-DEC-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000205445.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 21-NOV-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : MAX II                             
REMARK 200  BEAMLINE                       : I911-3                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0                                
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 2203                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 46.130                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 92.8                               
REMARK 200  DATA REDUNDANCY                : 5.100                              
REMARK 200  R MERGE                    (I) : 0.32600                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 2.3000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.94                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 93.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.20                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.66300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.800                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP 11.0.05                                        
REMARK 200 STARTING MODEL: 4BCZ                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 46.86                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.31                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M BIS TRIS AND 2.0 M AMMONIUM        
REMARK 280  SULFATE, PH 5.5, EVAPORATION, TEMPERATURE 293K                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/6                                            
REMARK 290       6555   X-Y,X,Z+5/6                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       46.67333            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       23.33667            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       35.00500            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       11.66833            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       58.34167            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    SER A  68       79.98   -152.30                                   
REMARK 500    HIS A  80       48.81    -86.38                                   
REMARK 500    ILE A  83      106.24    -56.88                                   
REMARK 500    VAL B  14       86.68    -52.35                                   
REMARK 500    SER B  68       88.59   -158.82                                   
REMARK 500    ALA B 109      -72.15    -98.51                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  4XCR A    1   110  UNP    P00441   SODC_HUMAN       2    154             
DBREF  4XCR B    1   110  UNP    P00441   SODC_HUMAN       2    154             
SEQADV 4XCR ALA A    6  UNP  P00441    CYS     7 CONFLICT                       
SEQADV 4XCR ALA A   35  UNP  P00441    ILE    36 ENGINEERED MUTATION            
SEQADV 4XCR GLY A   49  UNP  P00441    GLU    50 CONFLICT                       
SEQADV 4XCR ALA A   50  UNP  P00441    PHE    51 CONFLICT                       
SEQADV 4XCR     A       UNP  P00441    ASP    53 DELETION                       
SEQADV 4XCR     A       UNP  P00441    ASN    54 DELETION                       
SEQADV 4XCR     A       UNP  P00441    THR    55 DELETION                       
SEQADV 4XCR     A       UNP  P00441    ALA    56 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLY    57 DELETION                       
SEQADV 4XCR     A       UNP  P00441    CYS    58 DELETION                       
SEQADV 4XCR     A       UNP  P00441    THR    59 DELETION                       
SEQADV 4XCR     A       UNP  P00441    SER    60 DELETION                       
SEQADV 4XCR     A       UNP  P00441    ALA    61 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLY    62 DELETION                       
SEQADV 4XCR     A       UNP  P00441    PRO    63 DELETION                       
SEQADV 4XCR     A       UNP  P00441    HIS    64 DELETION                       
SEQADV 4XCR     A       UNP  P00441    PHE    65 DELETION                       
SEQADV 4XCR     A       UNP  P00441    ASN    66 DELETION                       
SEQADV 4XCR     A       UNP  P00441    PRO    67 DELETION                       
SEQADV 4XCR     A       UNP  P00441    LEU    68 DELETION                       
SEQADV 4XCR     A       UNP  P00441    SER    69 DELETION                       
SEQADV 4XCR     A       UNP  P00441    ARG    70 DELETION                       
SEQADV 4XCR     A       UNP  P00441    LYS    71 DELETION                       
SEQADV 4XCR     A       UNP  P00441    HIS    72 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLY    73 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLY    74 DELETION                       
SEQADV 4XCR     A       UNP  P00441    PRO    75 DELETION                       
SEQADV 4XCR     A       UNP  P00441    LYS    76 DELETION                       
SEQADV 4XCR     A       UNP  P00441    ASP    77 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLU    78 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLU    79 DELETION                       
SEQADV 4XCR     A       UNP  P00441    ARG    80 DELETION                       
SEQADV 4XCR     A       UNP  P00441    HIS    81 DELETION                       
SEQADV 4XCR     A       UNP  P00441    VAL    82 DELETION                       
SEQADV 4XCR SER A   81  UNP  P00441    CYS   112 CONFLICT                       
SEQADV 4XCR     A       UNP  P00441    ASP   125 DELETION                       
SEQADV 4XCR     A       UNP  P00441    ASP   126 DELETION                       
SEQADV 4XCR     A       UNP  P00441    LEU   127 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLY   128 DELETION                       
SEQADV 4XCR     A       UNP  P00441    LYS   129 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLY   130 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLY   131 DELETION                       
SEQADV 4XCR     A       UNP  P00441    ASN   132 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLU   133 DELETION                       
SEQADV 4XCR     A       UNP  P00441    GLU   134 DELETION                       
SEQADV 4XCR     A       UNP  P00441    SER   135 DELETION                       
SEQADV 4XCR     A       UNP  P00441    THR   136 DELETION                       
SEQADV 4XCR     A       UNP  P00441    LYS   137 DELETION                       
SEQADV 4XCR GLY A   94  UNP  P00441    THR   138 CONFLICT                       
SEQADV 4XCR ALA A   95  UNP  P00441    GLY   139 CONFLICT                       
SEQADV 4XCR GLY A   96  UNP  P00441    ASN   140 CONFLICT                       
SEQADV 4XCR SER A  103  UNP  P00441    CYS   147 CONFLICT                       
SEQADV 4XCR ALA B    6  UNP  P00441    CYS     7 CONFLICT                       
SEQADV 4XCR ALA B   35  UNP  P00441    ILE    36 ENGINEERED MUTATION            
SEQADV 4XCR GLY B   49  UNP  P00441    GLU    50 CONFLICT                       
SEQADV 4XCR ALA B   50  UNP  P00441    PHE    51 CONFLICT                       
SEQADV 4XCR     B       UNP  P00441    ASP    53 DELETION                       
SEQADV 4XCR     B       UNP  P00441    ASN    54 DELETION                       
SEQADV 4XCR     B       UNP  P00441    THR    55 DELETION                       
SEQADV 4XCR     B       UNP  P00441    ALA    56 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLY    57 DELETION                       
SEQADV 4XCR     B       UNP  P00441    CYS    58 DELETION                       
SEQADV 4XCR     B       UNP  P00441    THR    59 DELETION                       
SEQADV 4XCR     B       UNP  P00441    SER    60 DELETION                       
SEQADV 4XCR     B       UNP  P00441    ALA    61 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLY    62 DELETION                       
SEQADV 4XCR     B       UNP  P00441    PRO    63 DELETION                       
SEQADV 4XCR     B       UNP  P00441    HIS    64 DELETION                       
SEQADV 4XCR     B       UNP  P00441    PHE    65 DELETION                       
SEQADV 4XCR     B       UNP  P00441    ASN    66 DELETION                       
SEQADV 4XCR     B       UNP  P00441    PRO    67 DELETION                       
SEQADV 4XCR     B       UNP  P00441    LEU    68 DELETION                       
SEQADV 4XCR     B       UNP  P00441    SER    69 DELETION                       
SEQADV 4XCR     B       UNP  P00441    ARG    70 DELETION                       
SEQADV 4XCR     B       UNP  P00441    LYS    71 DELETION                       
SEQADV 4XCR     B       UNP  P00441    HIS    72 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLY    73 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLY    74 DELETION                       
SEQADV 4XCR     B       UNP  P00441    PRO    75 DELETION                       
SEQADV 4XCR     B       UNP  P00441    LYS    76 DELETION                       
SEQADV 4XCR     B       UNP  P00441    ASP    77 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLU    78 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLU    79 DELETION                       
SEQADV 4XCR     B       UNP  P00441    ARG    80 DELETION                       
SEQADV 4XCR     B       UNP  P00441    HIS    81 DELETION                       
SEQADV 4XCR     B       UNP  P00441    VAL    82 DELETION                       
SEQADV 4XCR SER B   81  UNP  P00441    CYS   112 CONFLICT                       
SEQADV 4XCR     B       UNP  P00441    ASP   125 DELETION                       
SEQADV 4XCR     B       UNP  P00441    ASP   126 DELETION                       
SEQADV 4XCR     B       UNP  P00441    LEU   127 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLY   128 DELETION                       
SEQADV 4XCR     B       UNP  P00441    LYS   129 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLY   130 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLY   131 DELETION                       
SEQADV 4XCR     B       UNP  P00441    ASN   132 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLU   133 DELETION                       
SEQADV 4XCR     B       UNP  P00441    GLU   134 DELETION                       
SEQADV 4XCR     B       UNP  P00441    SER   135 DELETION                       
SEQADV 4XCR     B       UNP  P00441    THR   136 DELETION                       
SEQADV 4XCR     B       UNP  P00441    LYS   137 DELETION                       
SEQADV 4XCR GLY B   94  UNP  P00441    THR   138 CONFLICT                       
SEQADV 4XCR ALA B   95  UNP  P00441    GLY   139 CONFLICT                       
SEQADV 4XCR GLY B   96  UNP  P00441    ASN   140 CONFLICT                       
SEQADV 4XCR SER B  103  UNP  P00441    CYS   147 CONFLICT                       
SEQRES   1 A  110  ALA THR LYS ALA VAL ALA VAL LEU LYS GLY ASP GLY PRO          
SEQRES   2 A  110  VAL GLN GLY ILE ILE ASN PHE GLU GLN LYS GLU SER ASN          
SEQRES   3 A  110  GLY PRO VAL LYS VAL TRP GLY SER ALA LYS GLY LEU THR          
SEQRES   4 A  110  GLU GLY LEU HIS GLY PHE HIS VAL HIS GLY ALA GLY GLY          
SEQRES   5 A  110  ASP LEU GLY ASN VAL THR ALA ASP LYS ASP GLY VAL ALA          
SEQRES   6 A  110  ASP VAL SER ILE GLU ASP SER VAL ILE SER LEU SER GLY          
SEQRES   7 A  110  ASP HIS SER ILE ILE GLY ARG THR LEU VAL VAL HIS GLU          
SEQRES   8 A  110  LYS ALA GLY ALA GLY ALA GLY SER ARG LEU ALA SER GLY          
SEQRES   9 A  110  VAL ILE GLY ILE ALA GLN                                      
SEQRES   1 B  110  ALA THR LYS ALA VAL ALA VAL LEU LYS GLY ASP GLY PRO          
SEQRES   2 B  110  VAL GLN GLY ILE ILE ASN PHE GLU GLN LYS GLU SER ASN          
SEQRES   3 B  110  GLY PRO VAL LYS VAL TRP GLY SER ALA LYS GLY LEU THR          
SEQRES   4 B  110  GLU GLY LEU HIS GLY PHE HIS VAL HIS GLY ALA GLY GLY          
SEQRES   5 B  110  ASP LEU GLY ASN VAL THR ALA ASP LYS ASP GLY VAL ALA          
SEQRES   6 B  110  ASP VAL SER ILE GLU ASP SER VAL ILE SER LEU SER GLY          
SEQRES   7 B  110  ASP HIS SER ILE ILE GLY ARG THR LEU VAL VAL HIS GLU          
SEQRES   8 B  110  LYS ALA GLY ALA GLY ALA GLY SER ARG LEU ALA SER GLY          
SEQRES   9 B  110  VAL ILE GLY ILE ALA GLN                                      
SHEET    1 AA1 8 ASP A  53  ALA A  59  0                                        
SHEET    2 AA1 8 GLY A  41  VAL A  47 -1  N  PHE A  45   O  GLY A  55           
SHEET    3 AA1 8 THR A  86  HIS A  90 -1  O  VAL A  88   N  HIS A  46           
SHEET    4 AA1 8 LEU A 101  VAL A 105 -1  O  GLY A 104   N  LEU A  87           
SHEET    5 AA1 8 LYS A   3  GLY A  10 -1  N  LYS A   9   O  SER A 103           
SHEET    6 AA1 8 GLN A  15  GLU A  21 -1  O  ILE A  18   N  ALA A   6           
SHEET    7 AA1 8 VAL A  29  LYS A  36 -1  O  LYS A  30   N  GLU A  21           
SHEET    8 AA1 8 VAL A  64  ASP A  71 -1  O  ILE A  69   N  VAL A  31           
SHEET    1 AA2 6 ASP A  53  ALA A  59  0                                        
SHEET    2 AA2 6 GLY A  41  VAL A  47 -1  N  PHE A  45   O  GLY A  55           
SHEET    3 AA2 6 THR A  86  HIS A  90 -1  O  VAL A  88   N  HIS A  46           
SHEET    4 AA2 6 LEU A 101  VAL A 105 -1  O  GLY A 104   N  LEU A  87           
SHEET    5 AA2 6 LYS A   3  GLY A  10 -1  N  LYS A   9   O  SER A 103           
SHEET    6 AA2 6 GLY A 107  GLN A 110 -1  O  GLN A 110   N  LYS A   3           
SHEET    1 AA3 5 ASP B  66  ASP B  71  0                                        
SHEET    2 AA3 5 VAL B  29  LYS B  36 -1  N  GLY B  33   O  VAL B  67           
SHEET    3 AA3 5 GLN B  15  GLN B  22 -1  N  ASN B  19   O  TRP B  32           
SHEET    4 AA3 5 LYS B   3  LYS B   9 -1  N  ALA B   4   O  PHE B  20           
SHEET    5 AA3 5 GLY B 107  ILE B 108 -1  O  GLY B 107   N  VAL B   5           
SHEET    1 AA4 4 ASP B  53  ALA B  59  0                                        
SHEET    2 AA4 4 GLY B  41  VAL B  47 -1  N  PHE B  45   O  LEU B  54           
SHEET    3 AA4 4 THR B  86  HIS B  90 -1  O  VAL B  88   N  HIS B  46           
SHEET    4 AA4 4 LEU B 101  VAL B 105 -1  O  ALA B 102   N  VAL B  89           
CRYST1   70.820   70.820   70.010  90.00  90.00 120.00 P 65         12          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.014120  0.008152  0.000000        0.00000                         
SCALE2      0.000000  0.016305  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014284        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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