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Database: PDB
Entry: 3UFC
LinkDB: 3UFC
Original site: 3UFC 
HEADER    HYDROLASE                               01-NOV-11   3UFC              
TITLE     CHARACTERIZATION OF A CAS6-RELATED GENE FROM PYROCOCCUS FURIOSUS      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN;                          
COMPND   3 CHAIN: X;                                                            
COMPND   4 SYNONYM: CAS6;                                                       
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS;                            
SOURCE   3 ORGANISM_TAXID: 186497;                                              
SOURCE   4 STRAIN: ATCC 43587 / DSM 3638 / JCM 8422 / VC1;                      
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
KEYWDS    CAS6, FERREDOXIN-LIKE DOMAIN, RNA BINDING, HYDROLASE                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    H.M.PARK,J.S.KIM                                                      
REVDAT   3   20-MAR-24 3UFC    1       SEQADV                                   
REVDAT   2   03-JUL-13 3UFC    1       JRNL                                     
REVDAT   1   21-MAR-12 3UFC    0                                                
JRNL        AUTH   H.M.PARK,M.SHIN,J.SUN,G.S.KIM,Y.C.LEE,J.H.PARK,B.Y.KIM,      
JRNL        AUTH 2 J.S.KIM                                                      
JRNL        TITL   CRYSTAL STRUCTURE OF A CAS6 PARALOGOUS PROTEIN FROM          
JRNL        TITL 2 PYROCOCCUS FURIOSUS                                          
JRNL        REF    PROTEINS                      V.  80  1895 2012              
JRNL        REFN                   ISSN 0887-3585                               
JRNL        PMID   22447673                                                     
JRNL        DOI    10.1002/PROT.24061                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.03 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.2                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.03                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 50.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 94.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 26932                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.203                           
REMARK   3   FREE R VALUE                     : 0.228                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 7.600                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2166                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1986                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 179                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 37.70                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 4.40900                                              
REMARK   3    B22 (A**2) : 4.40900                                              
REMARK   3    B33 (A**2) : -8.81900                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.006                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.257                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.623 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 2.629 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.348 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 3.724 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   KSOL        : 102.9                                                
REMARK   3   BSOL        : NULL                                                 
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : DNA-RNA_REP.PARAM                              
REMARK   3  PARAMETER FILE  3  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  4  : ION.PARAM                                      
REMARK   3  PARAMETER FILE  5  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : DNA-RNA.TOP                                    
REMARK   3  TOPOLOGY FILE  3   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  4   : ION.TOP                                        
REMARK   3  TOPOLOGY FILE  5   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3UFC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-NOV-11.                  
REMARK 100 THE DEPOSITION ID IS D_1000068683.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 31-AUG-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 8.3.1                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.1159                             
REMARK 200  MONOCHROMATOR                  : GRAPHITE                           
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 26932                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.030                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 94.2                               
REMARK 200  DATA REDUNDANCY                : 7.600                              
REMARK 200  R MERGE                    (I) : NULL                               
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) : 2.09                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.18                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 67.85                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.83                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 30% (W/V) POLYETHYLENE GLYCOL 400,       
REMARK 280  0.1M HEPES-NA, 0.1M MAGNESIUM CHLORIDE HEXAHYDRATE , PH 7.5,        
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+2/3                                           
REMARK 290       6555   -X,-X+Y,-Z+1/3                                          
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       39.12067            
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       78.24133            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       78.24133            
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       39.12067            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
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: X                                     
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 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLN X 241    CG   CD   OE1  NE2                                  
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    GLU X  36       88.18   -153.29                                   
REMARK 500    LYS X  66      -48.65   -150.47                                   
REMARK 500    GLU X 140       78.21   -160.50                                   
REMARK 500    LYS X 196      -85.25     70.65                                   
REMARK 500    GLU X 240      106.84   -173.75                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3I4H   RELATED DB: PDB                                   
REMARK 900 CAS6 IS AN ENDORIBONUCLEASE THAT GENERATES GUIDE RNAS FOR INVADER    
REMARK 900 DEFENSE IN PROKARYOTES                                               
DBREF  3UFC X    1   241  UNP    Q8U3R3   Q8U3R3_PYRFU     1    241             
SEQADV 3UFC GLY X   -1  UNP  Q8U3R3              EXPRESSION TAG                 
SEQADV 3UFC GLY X    0  UNP  Q8U3R3              EXPRESSION TAG                 
SEQRES   1 X  243  GLY GLY MET ARG ILE GLU ILE LYS LEU LEU PRO LEU GLN          
SEQRES   2 X  243  ASP ASN PRO VAL ILE PRO PHE ASN TYR ASN TYR GLU LEU          
SEQRES   3 X  243  TYR SER GLN ILE VAL GLU LYS ALA GLY ALA ILE GLU PRO          
SEQRES   4 X  243  ARG ILE VAL LYS LEU LEU GLU SER PRO HIS GLY TYR TRP          
SEQRES   5 X  243  THR PHE SER ARG ILE ILE ILE ARG LYS ARG GLU ILE ILE          
SEQRES   6 X  243  PRO GLU LYS GLY ILE LYS ILE LEU SER ASP ASP ILE SER          
SEQRES   7 X  243  LEU TYR ILE SER SER SER ASN LYS GLU ILE ILE LYS GLY          
SEQRES   8 X  243  ILE VAL GLU GLY ILE GLU LYS SER PRO GLU PHE LYS ILE          
SEQRES   9 X  243  GLY ASP VAL GLY PHE LEU VAL ALA ASP ILE LYS ALA LEU          
SEQRES  10 X  243  LYS SER LYS GLU ILE LYS ASN VAL ASN ILE PHE SER THR          
SEQRES  11 X  243  LEU SER PRO ILE VAL VAL ARG THR VAL LYS PHE GLU GLY          
SEQRES  12 X  243  ASP LYS LEU LYS HIS TRP ASP LEU TYR PRO HIS ASP GLU          
SEQRES  13 X  243  LEU PHE LEU ASP ARG LEU ARG LYS VAL MET LEU LEU ARG          
SEQRES  14 X  243  TYR HIS GLU VAL MET GLY ASP LEU PRO GLU ASP LYS ASP          
SEQRES  15 X  243  PHE ARG ILE GLU LEU ILE LYS PHE LYS PRO THR ARG LEU          
SEQRES  16 X  243  ILE VAL LYS ASP SER TYR ILE ARG GLY SER LEU MET VAL          
SEQRES  17 X  243  PHE ARG TYR TYR GLY SER LYS GLU ILE ALA LYS PHE GLY          
SEQRES  18 X  243  TYR GLU ASN GLY PHE GLY GLU LYS THR ASN LEU GLY PHE          
SEQRES  19 X  243  GLY MET VAL LYS ILE ILE GLU GLU GLN                          
FORMUL   2  HOH   *179(H2 O)                                                    
HELIX    1   1 TYR X   20  GLU X   36  1                                  17    
HELIX    2   2 ILE X   39  SER X   45  1                                   7    
HELIX    3   3 ASN X   83  SER X   97  1                                  15    
HELIX    4   4 LEU X  155  GLY X  173  1                                  19    
HELIX    5   5 SER X  212  GLY X  223  1                                  12    
HELIX    6   6 LYS X  227  GLY X  231  5                                   5    
SHEET    1   A 3 THR X  51  PHE X  52  0                                        
SHEET    2   A 3 ILE X  75  SER X  81 -1  O  SER X  80   N  THR X  51           
SHEET    3   A 3 ILE X  56  ILE X  57 -1  N  ILE X  56   O  SER X  76           
SHEET    1   B 5 THR X  51  PHE X  52  0                                        
SHEET    2   B 5 ILE X  75  SER X  81 -1  O  SER X  80   N  THR X  51           
SHEET    3   B 5 MET X   1  PRO X   9 -1  N  ILE X   3   O  ILE X  79           
SHEET    4   B 5 VAL X 105  ALA X 114 -1  O  LYS X 113   N  GLU X   4           
SHEET    5   B 5 GLU X  99  ILE X 102 -1  N  ILE X 102   O  VAL X 105           
SHEET    1   C 3 VAL X  15  ILE X  16  0                                        
SHEET    2   C 3 GLY X  67  ILE X  70 -1  O  ILE X  68   N  ILE X  16           
SHEET    3   C 3 ARG X  60  ILE X  63 -1  N  GLU X  61   O  LYS X  69           
SHEET    1   D 4 PHE X 181  VAL X 195  0                                        
SHEET    2   D 4 SER X 198  GLY X 211 -1  O  SER X 198   N  VAL X 195           
SHEET    3   D 4 VAL X 123  THR X 128 -1  N  ASN X 124   O  TYR X 209           
SHEET    4   D 4 VAL X 235  ILE X 237 -1  O  LYS X 236   N  SER X 127           
SHEET    1   E 2 VAL X 134  GLU X 140  0                                        
SHEET    2   E 2 LYS X 143  LEU X 149 -1  O  LEU X 149   N  VAL X 134           
CRYST1   79.805   79.805  117.362  90.00  90.00 120.00 P 31 2 1      6          
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      0.012531  0.007235  0.000000        0.00000                         
SCALE2      0.000000  0.014469  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008521        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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