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Database: PDB
Entry: 5IIW
LinkDB: 5IIW
Original site: 5IIW 
HEADER    UNKNOWN FUNCTION                        01-MAR-16   5IIW              
TITLE     CORKSCREW ASSEMBLY OF SOD1 RESIDUES 28-38 WITHOUT POTASSIUM IODIDE    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN];                              
COMPND   3 CHAIN: A, B, C, D, E, F, G, H;                                       
COMPND   4 FRAGMENT: UNP RESIDUES 29-39;                                        
COMPND   5 SYNONYM: SUPEROXIDE DISMUTASE 1,HSOD1;                               
COMPND   6 EC: 1.15.1.1;                                                        
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
SOURCE   5 ORGANISM_TAXID: 9606;                                                
SOURCE   6 OTHER_DETAILS: SYNTHESIZED                                           
KEYWDS    AMYLOID-RELATED OLIGOMER, UNKNOWN FUNCTION                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.SANGWAN,A.ZHAO,M.R.SAWAYA,D.EISENBERG                               
REVDAT   4   09-JAN-19 5IIW    1       JRNL                                     
REVDAT   3   01-NOV-17 5IIW    1       REMARK                                   
REVDAT   2   20-SEP-17 5IIW    1       REMARK                                   
REVDAT   1   28-JUN-17 5IIW    0                                                
JRNL        AUTH   S.SANGWAN,A.ZHAO,K.L.ADAMS,C.K.JAYSON,M.R.SAWAYA,            
JRNL        AUTH 2 E.L.GUENTHER,A.C.PAN,J.NGO,D.M.MOORE,A.B.SORIAGA,T.D.DO,     
JRNL        AUTH 3 L.GOLDSCHMIDT,R.NELSON,M.T.BOWERS,C.M.KOEHLER,D.E.SHAW,      
JRNL        AUTH 4 B.G.NOVITCH,D.S.EISENBERG                                    
JRNL        TITL   ATOMIC STRUCTURE OF A TOXIC, OLIGOMERIC SEGMENT OF SOD1      
JRNL        TITL 2 LINKED TO AMYOTROPHIC LATERAL SCLEROSIS (ALS).               
JRNL        REF    PROC. NATL. ACAD. SCI.        V. 114  8770 2017              
JRNL        REF  2 U.S.A.                                                       
JRNL        REFN                   ESSN 1091-6490                               
JRNL        PMID   28760994                                                     
JRNL        DOI    10.1073/PNAS.1705091114                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : BUSTER-TNT                                           
REMARK   3   AUTHORS     : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER,              
REMARK   3               : PACIOREK,ROVERSI,SMART,VONRHEIN,WOMACK,              
REMARK   3               : MATTHEWS,TEN EYCK,TRONRUD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 35.49                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 6690                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD           : THROUGHOUT                     
REMARK   3   FREE R VALUE TEST SET SELECTION   : RANDOM                         
REMARK   3   R VALUE     (WORKING + TEST SET)  : 0.240                          
REMARK   3   R VALUE            (WORKING SET)  : 0.239                          
REMARK   3   FREE R VALUE                      : 0.252                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%)  : 5.020                          
REMARK   3   FREE R VALUE TEST SET COUNT       : 336                            
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               : 5                        
REMARK   3   BIN RESOLUTION RANGE HIGH   (ANGSTROMS) : 2.00                     
REMARK   3   BIN RESOLUTION RANGE LOW    (ANGSTROMS) : 2.24                     
REMARK   3   BIN COMPLETENESS (WORKING+TEST)     (%) : 97.79                    
REMARK   3   REFLECTIONS IN BIN (WORKING + TEST SET) : 1862                     
REMARK   3   BIN R VALUE        (WORKING + TEST SET) : 0.2051                   
REMARK   3   REFLECTIONS IN BIN        (WORKING SET) : 1769                     
REMARK   3   BIN R VALUE               (WORKING SET) : 0.2043                   
REMARK   3   BIN FREE R VALUE                        : 0.2214                   
REMARK   3   BIN FREE R VALUE TEST SET SIZE      (%) : 4.99                     
REMARK   3   BIN FREE R VALUE TEST SET COUNT         : 93                       
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            : 688                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 34                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 30.33                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 34.90                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.72490                                             
REMARK   3    B22 (A**2) : 5.82360                                              
REMARK   3    B33 (A**2) : -4.09860                                             
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) : 0.256               
REMARK   3   DPI (BLOW EQ-10) BASED ON R VALUE        (A) : 0.219               
REMARK   3   DPI (BLOW EQ-9) BASED ON FREE R VALUE    (A) : 0.169               
REMARK   3   DPI (CRUICKSHANK) BASED ON R VALUE       (A) : 0.210               
REMARK   3   DPI (CRUICKSHANK) BASED ON FREE R VALUE  (A) : 0.167               
REMARK   3                                                                      
REMARK   3   REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797                
REMARK   3               CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601     
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.927                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.954                         
REMARK   3                                                                      
REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15                    
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.          
REMARK   3    BOND LENGTHS              : 696    ; 2.000  ; HARMONIC            
REMARK   3    BOND ANGLES               : 920    ; 2.000  ; HARMONIC            
REMARK   3    TORSION ANGLES            : 248    ; 2.000  ; SINUSOIDAL          
REMARK   3    TRIGONAL CARBON PLANES    : 8      ; 2.000  ; HARMONIC            
REMARK   3    GENERAL PLANES            : 88     ; 5.000  ; HARMONIC            
REMARK   3    ISOTROPIC THERMAL FACTORS : 696    ; 20.000 ; HARMONIC            
REMARK   3    BAD NON-BONDED CONTACTS   : NULL   ; NULL   ; NULL                
REMARK   3    IMPROPER TORSIONS         : NULL   ; NULL   ; NULL                
REMARK   3    PSEUDOROTATION ANGLES     : NULL   ; NULL   ; NULL                
REMARK   3    CHIRAL IMPROPER TORSION   : 80     ; 5.000  ; SEMIHARMONIC        
REMARK   3    SUM OF OCCUPANCIES        : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY DISTANCES         : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY ANGLES            : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY TORSION           : NULL   ; NULL   ; NULL                
REMARK   3    IDEAL-DIST CONTACT TERM   : 923    ; 4.000  ; SEMIHARMONIC        
REMARK   3                                                                      
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.                                  
REMARK   3    BOND LENGTHS                       (A) : 0.010                    
REMARK   3    BOND ANGLES                  (DEGREES) : 0.91                     
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 2.61                     
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : 15.23                    
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: { *|* }                                                
REMARK   3    ORIGIN FOR THE GROUP (A):    9.3142   16.9063   31.6219           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0281 T22:    0.0525                                    
REMARK   3     T33:   -0.1844 T12:   -0.0011                                    
REMARK   3     T13:   -0.0236 T23:   -0.0038                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.6049 L22:    0.4556                                    
REMARK   3     L33:    6.0550 L12:   -0.0913                                    
REMARK   3     L13:   -1.8857 L23:   -0.4244                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0373 S12:   -0.0516 S13:    0.0370                     
REMARK   3     S21:    0.0213 S22:   -0.0155 S23:    0.0070                     
REMARK   3     S31:    0.0420 S32:    0.0243 S33:   -0.0219                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5IIW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-MAR-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000218903.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 09-DEC-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5                                  
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-E                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9791                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 6691                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 35.490                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.8                               
REMARK 200  DATA REDUNDANCY                : 5.100                              
REMARK 200  R MERGE                    (I) : 0.12200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 9.3400                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.15                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.23                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.59300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.130                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SIRAS                        
REMARK 200 SOFTWARE USED: SHELX                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 49.43                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: RESERVOIR CONTAINED 13% PEG 6000, 0.2M   
REMARK 280  SODIUM CITRATE, PH 5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE    
REMARK 280  298K                                                                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
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 -1.000000  0.000000  0.000000       15.44500            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       35.48500            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       21.61500            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       35.48500            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       15.44500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       21.61500            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
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 300 REMARK: AUTHOR STATES THAT THE BIOLOGICAL ASSEMBLY IS VARIABLE BETA- 
REMARK 300 SHEET ACCORDING TO GEL FILTRATION. ASYMMETRIC UNIT IS ONE WAY OF     
REMARK 300 REPRESENTING THE VARIABLE BIOLOGICAL ASSEMBLY.                       
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: OCTAMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F, G, H                
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 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 103        DISTANCE = 13.47 ANGSTROMS                       
REMARK 525    HOH A 104        DISTANCE = 14.05 ANGSTROMS                       
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5DLI   RELATED DB: PDB                                   
REMARK 900 5DLI CONTAINS THE SAME PEPTIDE WITH POTASSIUM IODIDE SOAKED IN FOR   
REMARK 900 SIRAS PHASING.                                                       
DBREF  5IIW A   28    38  UNP    P00441   SODC_HUMAN      29     39             
DBREF  5IIW B   28    38  UNP    P00441   SODC_HUMAN      29     39             
DBREF  5IIW C   28    38  UNP    P00441   SODC_HUMAN      29     39             
DBREF  5IIW D   28    38  UNP    P00441   SODC_HUMAN      29     39             
DBREF  5IIW E   28    38  UNP    P00441   SODC_HUMAN      29     39             
DBREF  5IIW F   28    38  UNP    P00441   SODC_HUMAN      29     39             
DBREF  5IIW G   28    38  UNP    P00441   SODC_HUMAN      29     39             
DBREF  5IIW H   28    38  UNP    P00441   SODC_HUMAN      29     39             
SEQADV 5IIW LYS A   28  UNP  P00441    PRO    29 ENGINEERED MUTATION            
SEQADV 5IIW LYS B   28  UNP  P00441    PRO    29 ENGINEERED MUTATION            
SEQADV 5IIW LYS C   28  UNP  P00441    PRO    29 ENGINEERED MUTATION            
SEQADV 5IIW LYS D   28  UNP  P00441    PRO    29 ENGINEERED MUTATION            
SEQADV 5IIW LYS E   28  UNP  P00441    PRO    29 ENGINEERED MUTATION            
SEQADV 5IIW LYS F   28  UNP  P00441    PRO    29 ENGINEERED MUTATION            
SEQADV 5IIW LYS G   28  UNP  P00441    PRO    29 ENGINEERED MUTATION            
SEQADV 5IIW LYS H   28  UNP  P00441    PRO    29 ENGINEERED MUTATION            
SEQRES   1 A   11  LYS VAL LYS VAL TRP GLY SER ILE LYS GLY LEU                  
SEQRES   1 B   11  LYS VAL LYS VAL TRP GLY SER ILE LYS GLY LEU                  
SEQRES   1 C   11  LYS VAL LYS VAL TRP GLY SER ILE LYS GLY LEU                  
SEQRES   1 D   11  LYS VAL LYS VAL TRP GLY SER ILE LYS GLY LEU                  
SEQRES   1 E   11  LYS VAL LYS VAL TRP GLY SER ILE LYS GLY LEU                  
SEQRES   1 F   11  LYS VAL LYS VAL TRP GLY SER ILE LYS GLY LEU                  
SEQRES   1 G   11  LYS VAL LYS VAL TRP GLY SER ILE LYS GLY LEU                  
SEQRES   1 H   11  LYS VAL LYS VAL TRP GLY SER ILE LYS GLY LEU                  
FORMUL   9  HOH   *34(H2 O)                                                     
SHEET    1 AA1 8 VAL A  29  GLY A  33  0                                        
SHEET    2 AA1 8 VAL B  29  SER B  34 -1  O  TRP B  32   N  LYS A  30           
SHEET    3 AA1 8 VAL C  29  ILE C  35 -1  O  ILE C  35   N  VAL B  29           
SHEET    4 AA1 8 VAL D  29  SER D  34 -1  O  LYS D  30   N  TRP C  32           
SHEET    5 AA1 8 VAL E  29  ILE E  35 -1  O  VAL E  31   N  GLY D  33           
SHEET    6 AA1 8 VAL F  29  SER F  34 -1  O  LYS F  30   N  TRP E  32           
SHEET    7 AA1 8 VAL G  29  SER G  34 -1  O  GLY G  33   N  VAL F  31           
SHEET    8 AA1 8 VAL H  29  GLY H  33 -1  O  TRP H  32   N  LYS G  30           
CRYST1   30.890   43.230   70.970  90.00  90.00  90.00 P 21 21 21   32          
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      0.032373  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.023132  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014090        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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