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Database: PDB
Entry: 4E1C
LinkDB: 4E1C
Original site: 4E1C 
HEADER    TOXIN                                   06-MAR-12   4E1C              
TITLE     STRUCTURE OF A VGRG VIBRIO CHOLERAE TOXIN ACD DOMAIN IN COMPLEX WITH  
TITLE    2 ADP AND MG++                                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: VGRG PROTEIN;                                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: VIBRIO CHOLERAE VGRG1 ACD (UNP RESIDUES 716-1111);         
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE;                                
SOURCE   3 ORGANISM_TAXID: 666;                                                 
SOURCE   4 STRAIN: O395;                                                        
SOURCE   5 GENE: VC_1416, VGRG1;                                                
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PETG20A                               
KEYWDS    ALPHA BETA PROTEIN, G-ACTIN CROSS-LINKING TOXIN, G-ACTIN, TOXIN       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    E.DURAND,G.AUDOLY,E.DERREZ,S.SPINELLI,M.ORTIZ-LOMBARDIA,E.CASCALES,   
AUTHOR   2 D.RAOULT,C.CAMBILLAU                                                 
REVDAT   1   29-AUG-12 4E1C    0                                                
JRNL        AUTH   E.DURAND,G.AUDOLY,E.DERREZ,S.SPINELLI,M.ORTIZ-LOMBARDIA,     
JRNL        AUTH 2 E.CASCALES,D.RAOULT,C.CAMBILLAU                              
JRNL        TITL   STRUCTURE AND FUNCTIONAL CHARACTERIZATION OF THE VIBRIO      
JRNL        TITL 2 CHOLERAE TOXIN FROM THE VGRG/MARTX FAMILY.                   
JRNL        REF    J.BIOL.CHEM.                               2012              
JRNL        REFN                   ESSN 1083-351X                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.25 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : BUSTER 2.11.2                                        
REMARK   3   AUTHORS     : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER,              
REMARK   3               : PACIOREK,ROVERSI,SHARFF,SMART,VONRHEIN,              
REMARK   3               : WOMACK,MATTHEWS,TEN EYCK,TRONRUD                     
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.25                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 40.62                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 92.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 28721                          
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)  : 0.175                          
REMARK   3   R VALUE            (WORKING SET)  : 0.174                          
REMARK   3   FREE R VALUE                      : 0.196                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%)  : 3.550                          
REMARK   3   FREE R VALUE TEST SET COUNT       : 1019                           
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               : 14                       
REMARK   3   BIN RESOLUTION RANGE HIGH   (ANGSTROMS) : 2.25                     
REMARK   3   BIN RESOLUTION RANGE LOW    (ANGSTROMS) : 2.33                     
REMARK   3   BIN COMPLETENESS (WORKING+TEST)     (%) : 92.92                    
REMARK   3   REFLECTIONS IN BIN (WORKING + TEST SET) : 3061                     
REMARK   3   BIN R VALUE        (WORKING + TEST SET) : 0.2085                   
REMARK   3   REFLECTIONS IN BIN        (WORKING SET) : 2954                     
REMARK   3   BIN R VALUE               (WORKING SET) : 0.2080                   
REMARK   3   BIN FREE R VALUE                        : 0.2235                   
REMARK   3   BIN FREE R VALUE TEST SET SIZE      (%) : 3.50                     
REMARK   3   BIN FREE R VALUE TEST SET COUNT         : 107                      
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            : 2757                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 55                                      
REMARK   3   SOLVENT ATOMS            : 470                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 39.49                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 37.25                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -2.28820                                             
REMARK   3    B22 (A**2) : -2.28820                                             
REMARK   3    B33 (A**2) : 4.57640                                              
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) : 0.26                
REMARK   3   DPI (BLOW EQ-10) BASED ON R VALUE        (A) : NULL                
REMARK   3   DPI (BLOW EQ-9) BASED ON FREE R VALUE    (A) : NULL                
REMARK   3   DPI (CRUICKSHANK) BASED ON R VALUE       (A) : 0.18                
REMARK   3   DPI (CRUICKSHANK) BASED ON FREE R VALUE  (A) : NULL                
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      : 0.948                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.933                         
REMARK   3                                                                      
REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15                    
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.          
REMARK   3    BOND LENGTHS              : 2888   ; 2.000  ; HARMONIC            
REMARK   3    BOND ANGLES               : 3932   ; 2.000  ; HARMONIC            
REMARK   3    TORSION ANGLES            : 989    ; 2.000  ; SINUSOIDAL          
REMARK   3    TRIGONAL CARBON PLANES    : 80     ; 2.000  ; HARMONIC            
REMARK   3    GENERAL PLANES            : 422    ; 5.000  ; HARMONIC            
REMARK   3    ISOTROPIC THERMAL FACTORS : 2888   ; 20.000 ; HARMONIC            
REMARK   3    BAD NON-BONDED CONTACTS   : 0      ; 5.000  ; SEMIHARMONIC        
REMARK   3    IMPROPER TORSIONS         : NULL   ; NULL   ; NULL                
REMARK   3    PSEUDOROTATION ANGLES     : NULL   ; NULL   ; NULL                
REMARK   3    CHIRAL IMPROPER TORSION   : 385    ; 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   : 3579   ; 4.000  ; SEMIHARMONIC        
REMARK   3                                                                      
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.                                  
REMARK   3    BOND LENGTHS                       (A) : 0.010                    
REMARK   3    BOND ANGLES                  (DEGREES) : 1.08                     
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 3.23                     
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : 19.17                    
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 13                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: { A|0 - A|17 }                                         
REMARK   3    ORIGIN FOR THE GROUP (A):   34.3198   89.1554   16.5402           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0186 T22:    0.0267                                    
REMARK   3     T33:   -0.0063 T12:   -0.0137                                    
REMARK   3     T13:    0.0191 T23:    0.0082                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.1942 L22:    0.0971                                    
REMARK   3     L33:    0.0358 L12:    0.2158                                    
REMARK   3     L13:    0.0935 L23:   -0.1793                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0018 S12:   -0.0030 S13:   -0.0021                     
REMARK   3     S21:    0.0031 S22:   -0.0002 S23:   -0.0034                     
REMARK   3     S31:    0.0030 S32:   -0.0032 S33:   -0.0016                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: { A|18 - A|53 }                                        
REMARK   3    ORIGIN FOR THE GROUP (A):   46.1439   90.0334    6.3373           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0421 T22:    0.0494                                    
REMARK   3     T33:   -0.0118 T12:   -0.0256                                    
REMARK   3     T13:   -0.0098 T23:   -0.0139                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.4269 L22:    0.0000                                    
REMARK   3     L33:    0.0053 L12:    0.3882                                    
REMARK   3     L13:   -0.3824 L23:    0.1996                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0008 S12:    0.0047 S13:   -0.0176                     
REMARK   3     S21:    0.0112 S22:    0.0021 S23:    0.0057                     
REMARK   3     S31:    0.0014 S32:   -0.0097 S33:   -0.0028                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: { A|54 - A|78 }                                        
REMARK   3    ORIGIN FOR THE GROUP (A):   55.2183   87.9177   -7.2292           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0418 T22:    0.0527                                    
REMARK   3     T33:   -0.0091 T12:    0.0132                                    
REMARK   3     T13:   -0.0019 T23:   -0.0312                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.3571 L22:    0.0000                                    
REMARK   3     L33:    0.6518 L12:   -0.0160                                    
REMARK   3     L13:    0.3797 L23:    0.2034                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0007 S12:    0.0089 S13:   -0.0110                     
REMARK   3     S21:   -0.0076 S22:    0.0012 S23:   -0.0005                     
REMARK   3     S31:    0.0081 S32:   -0.0018 S33:   -0.0019                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: { A|79 - A|116 }                                       
REMARK   3    ORIGIN FOR THE GROUP (A):   46.4501   98.4860   11.3262           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0550 T22:    0.0366                                    
REMARK   3     T33:   -0.0110 T12:   -0.0236                                    
REMARK   3     T13:   -0.0165 T23:   -0.0155                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.5450 L22:    0.0361                                    
REMARK   3     L33:    0.6086 L12:    0.0690                                    
REMARK   3     L13:    0.8880 L23:    0.3473                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0006 S12:   -0.0110 S13:    0.0108                     
REMARK   3     S21:    0.0145 S22:   -0.0130 S23:   -0.0042                     
REMARK   3     S31:   -0.0016 S32:   -0.0140 S33:    0.0136                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: { A|117 - A|143 }                                      
REMARK   3    ORIGIN FOR THE GROUP (A):   54.1067   93.1353    9.4907           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0310 T22:    0.0475                                    
REMARK   3     T33:   -0.0185 T12:   -0.0004                                    
REMARK   3     T13:   -0.0077 T23:   -0.0195                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.9327 L22:    0.0000                                    
REMARK   3     L33:    0.0006 L12:   -0.1936                                    
REMARK   3     L13:    0.1953 L23:    0.2044                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0013 S12:   -0.0093 S13:   -0.0021                     
REMARK   3     S21:   -0.0010 S22:   -0.0054 S23:   -0.0038                     
REMARK   3     S31:    0.0001 S32:    0.0074 S33:    0.0041                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: { A|144 - A|170 }                                      
REMARK   3    ORIGIN FOR THE GROUP (A):   40.7054   99.0417    2.8214           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0353 T22:    0.0140                                    
REMARK   3     T33:   -0.0056 T12:    0.0019                                    
REMARK   3     T13:    0.0151 T23:    0.0034                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.1697 L22:    0.1468                                    
REMARK   3     L33:    0.4696 L12:    0.5307                                    
REMARK   3     L13:    0.7565 L23:   -0.2510                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0010 S12:   -0.0010 S13:    0.0065                     
REMARK   3     S21:   -0.0097 S22:    0.0022 S23:   -0.0041                     
REMARK   3     S31:   -0.0225 S32:   -0.0002 S33:   -0.0013                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: { A|171 - A|206 }                                      
REMARK   3    ORIGIN FOR THE GROUP (A):    9.2252   91.2122   13.1717           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0848 T22:    0.0855                                    
REMARK   3     T33:   -0.0024 T12:    0.0476                                    
REMARK   3     T13:   -0.0062 T23:   -0.0585                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.6431 L22:    0.0000                                    
REMARK   3     L33:    0.2282 L12:   -0.3156                                    
REMARK   3     L13:   -0.0960 L23:    0.5244                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0014 S12:   -0.0084 S13:    0.0021                     
REMARK   3     S21:    0.0055 S22:    0.0073 S23:    0.0033                     
REMARK   3     S31:   -0.0081 S32:   -0.0144 S33:   -0.0087                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: { A|207 - A|236 }                                      
REMARK   3    ORIGIN FOR THE GROUP (A):   12.4292   85.5843    3.9803           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0875 T22:    0.0692                                    
REMARK   3     T33:    0.0032 T12:    0.0254                                    
REMARK   3     T13:   -0.0394 T23:   -0.0072                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.1905 L22:    0.0000                                    
REMARK   3     L33:    0.0717 L12:   -0.1708                                    
REMARK   3     L13:    0.8192 L23:   -0.4167                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0043 S12:   -0.0303 S13:   -0.0015                     
REMARK   3     S21:   -0.0067 S22:   -0.0071 S23:    0.0009                     
REMARK   3     S31:    0.0030 S32:   -0.0120 S33:    0.0028                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: { A|237 - A|269 }                                      
REMARK   3    ORIGIN FOR THE GROUP (A):   20.6156   85.8448   -7.1369           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0394 T22:    0.0538                                    
REMARK   3     T33:   -0.0203 T12:   -0.0037                                    
REMARK   3     T13:   -0.0282 T23:    0.0126                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.7822 L22:    0.0000                                    
REMARK   3     L33:    0.4858 L12:    0.0555                                    
REMARK   3     L13:   -0.6829 L23:   -0.1104                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0062 S12:    0.0058 S13:   -0.0017                     
REMARK   3     S21:   -0.0073 S22:    0.0035 S23:   -0.0030                     
REMARK   3     S31:    0.0075 S32:    0.0058 S33:    0.0027                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: { A|270 - A|319 }                                      
REMARK   3    ORIGIN FOR THE GROUP (A):   12.0113   78.2483    4.6769           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.1163 T22:    0.0972                                    
REMARK   3     T33:    0.0085 T12:   -0.0269                                    
REMARK   3     T13:   -0.0416 T23:    0.0340                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.3173 L22:    0.0000                                    
REMARK   3     L33:    0.7439 L12:    0.3516                                    
REMARK   3     L13:   -0.2332 L23:   -0.9208                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0016 S12:   -0.0085 S13:   -0.0225                     
REMARK   3     S21:    0.0086 S22:   -0.0110 S23:    0.0030                     
REMARK   3     S31:    0.0229 S32:   -0.0171 S33:    0.0094                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: { A|320 - A|343 }                                      
REMARK   3    ORIGIN FOR THE GROUP (A):   26.2265   86.4324   15.7443           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0319 T22:    0.0450                                    
REMARK   3     T33:   -0.0122 T12:   -0.0025                                    
REMARK   3     T13:   -0.0270 T23:    0.0271                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.7227 L22:    0.0000                                    
REMARK   3     L33:    0.0393 L12:    0.5824                                    
REMARK   3     L13:    0.4544 L23:   -0.1907                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0008 S12:   -0.0071 S13:   -0.0028                     
REMARK   3     S21:    0.0089 S22:   -0.0034 S23:    0.0020                     
REMARK   3     S31:    0.0023 S32:   -0.0074 S33:    0.0026                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: { A|344 - A|355 }                                      
REMARK   3    ORIGIN FOR THE GROUP (A):   32.5336  105.0090   10.5272           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0071 T22:    0.0104                                    
REMARK   3     T33:    0.0019 T12:    0.0094                                    
REMARK   3     T13:    0.0085 T23:   -0.0099                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.0349 L22:    0.0784                                    
REMARK   3     L33:    0.0359 L12:   -0.0574                                    
REMARK   3     L13:    0.0420 L23:    0.0299                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0001 S12:   -0.0017 S13:    0.0023                     
REMARK   3     S21:   -0.0029 S22:   -0.0012 S23:   -0.0003                     
REMARK   3     S31:   -0.0053 S32:   -0.0017 S33:    0.0012                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: { A|401 - A|401 }                                      
REMARK   3    ORIGIN FOR THE GROUP (A):   33.3948   88.5417   10.3270           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0062 T22:    0.0079                                    
REMARK   3     T33:   -0.0004 T12:   -0.0085                                    
REMARK   3     T13:   -0.0024 T23:   -0.0055                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.0334 L22:    0.0000                                    
REMARK   3     L33:    0.0053 L12:    0.0161                                    
REMARK   3     L13:    0.0189 L23:    0.0000                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0006 S12:   -0.0002 S13:   -0.0007                     
REMARK   3     S21:   -0.0022 S22:   -0.0002 S23:    0.0000                     
REMARK   3     S31:    0.0012 S32:    0.0003 S33:   -0.0003                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4E1C COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-MAR-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB071044.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-MAR-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.3                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : BRUKER AXS MICROSTAR               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : MIRRORS                            
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MAR SCANNER 345 MM PLATE           
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-3000                           
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 28824                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.250                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 4.200                              
REMARK 200  R MERGE                    (I) : 0.05300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 21.4000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.25                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.30                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 93.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.43600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.700                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: PDB ENTRY 4DTF                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 65.90                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.61                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 300 NL OF PROTEIN AT 13MG/ML, 100 NL     
REMARK 280  OF 2.4 M AMSO4, 0.1 M BI-TRIS, PH 6.3, VAPOR DIFFUSION, SITTING     
REMARK 280  DROP, TEMPERATURE 293K                                              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 2 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y,X,Z+3/4                                              
REMARK 290       4555   Y,-X,Z+1/4                                              
REMARK 290       5555   -X,Y,-Z                                                 
REMARK 290       6555   X,-Y,-Z+1/2                                             
REMARK 290       7555   Y,X,-Z+1/4                                              
REMARK 290       8555   -Y,-X,-Z+3/4                                            
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        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       38.19500            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       57.29250            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       19.09750            
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        0.00000            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       38.19500            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       19.09750            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       57.29250            
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: 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     ASN A   -11                                                      
REMARK 465     ALA A   -10                                                      
REMARK 465     GLN A    -9                                                      
REMARK 465     PRO A    -8                                                      
REMARK 465     ASN A    -7                                                      
REMARK 465     LEU A    -6                                                      
REMARK 465     GLY A    -5                                                      
REMARK 465     ARG A    -4                                                      
REMARK 465     SER A    -3                                                      
REMARK 465     THR A    -2                                                      
REMARK 465     LYS A    -1                                                      
REMARK 465     SER A   356                                                      
REMARK 465     THR A   357                                                      
REMARK 465     THR A   358                                                      
REMARK 465     LYS A   359                                                      
REMARK 465     SER A   360                                                      
REMARK 465     GLU A   361                                                      
REMARK 465     VAL A   362                                                      
REMARK 465     LYS A   363                                                      
REMARK 465     LEU A   364                                                      
REMARK 465     LEU A   365                                                      
REMARK 465     ASP A   366                                                      
REMARK 465     GLN A   367                                                      
REMARK 465     PHE A   368                                                      
REMARK 465     ASP A   369                                                      
REMARK 465     PRO A   370                                                      
REMARK 465     MET A   371                                                      
REMARK 465     LYS A   372                                                      
REMARK 465     ARG A   373                                                      
REMARK 465     LYS A   374                                                      
REMARK 465     THR A   375                                                      
REMARK 465     VAL A   376                                                      
REMARK 465     ILE A   377                                                      
REMARK 465     GLN A   378                                                      
REMARK 465     GLN A   379                                                      
REMARK 465     VAL A   380                                                      
REMARK 465     GLU A   381                                                      
REMARK 465     SER A   382                                                      
REMARK 465     LEU A   383                                                      
REMARK 465     VAL A   384                                                      
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     GLU A 355    CB   CG   CD   OE1  OE2                             
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    LYS A  10     -155.76   -132.94                                   
REMARK 500    ASP A  51      -94.48   -118.46                                   
REMARK 500    SER A 175       19.65     56.93                                   
REMARK 500    ASN A 238     -114.00     51.20                                   
REMARK 500    GLU A 264      -59.01     72.46                                   
REMARK 500    ALA A 317       73.19   -151.60                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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 729        DISTANCE =  7.05 ANGSTROMS                       
REMARK 525    HOH A 758        DISTANCE =  5.90 ANGSTROMS                       
REMARK 525    HOH A 772        DISTANCE =  5.10 ANGSTROMS                       
REMARK 525    HOH A 826        DISTANCE =  5.01 ANGSTROMS                       
REMARK 525    HOH A 850        DISTANCE =  5.93 ANGSTROMS                       
REMARK 525    HOH A 851        DISTANCE =  5.66 ANGSTROMS                       
REMARK 525    HOH A 916        DISTANCE =  6.11 ANGSTROMS                       
REMARK 525    HOH A 924        DISTANCE =  6.47 ANGSTROMS                       
REMARK 525    HOH A 926        DISTANCE =  5.69 ANGSTROMS                       
REMARK 525    HOH A 937        DISTANCE =  6.47 ANGSTROMS                       
REMARK 525    HOH A 938        DISTANCE =  6.25 ANGSTROMS                       
REMARK 525    HOH A 952        DISTANCE =  5.73 ANGSTROMS                       
REMARK 525    HOH A 956        DISTANCE =  6.29 ANGSTROMS                       
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG A 404  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU A  16   OE2                                                    
REMARK 620 2 ADP A 401   O3B  93.0                                              
REMARK 620 3 ADP A 401   O3A  93.6  55.1                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG A 403  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLN A 162   OE1                                                    
REMARK 620 2 GLU A 339   OE2  96.2                                              
REMARK 620 3 HOH A 741   O   132.7 111.2                                        
REMARK 620 N                    1     2                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ADP A 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 402                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 403                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 404                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 405                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 406                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 407                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 408                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4DTD   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4DTF   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4DTH   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4DTL   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4E1D   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4E1F   RELATED DB: PDB                                   
DBREF  4E1C A  -10   384  UNP    Q9KS45   Q9KS45_VIBCH   717   1111             
SEQRES   1 A  396  ASN ALA GLN PRO ASN LEU GLY ARG SER THR LYS ALA THR          
SEQRES   2 A  396  PRO ASP PHE PRO THR HIS PHE PRO LYS SER SER ILE GLY          
SEQRES   3 A  396  ILE GLU ASN GLU LEU ALA GLY LEU VAL VAL ALA MET PRO          
SEQRES   4 A  396  ALA ASN SER ALA GLN LYS PHE GLY TYR VAL LYS SER ALA          
SEQRES   5 A  396  GLN GLY ASP ALA LEU PHE MET LEU THR LYS ASP MET ASN          
SEQRES   6 A  396  GLN GLY SER TYR GLN ARG PRO PRO SER LEU GLN ASP GLY          
SEQRES   7 A  396  LYS ASN TYR GLN ASN TRP GLN THR HIS THR VAL GLU LEU          
SEQRES   8 A  396  VAL SER TYR PRO CYS GLU MET ASP ASP LYS ALA ALA VAL          
SEQRES   9 A  396  GLU THR ARG LYS GLN ALA MET LEU TRP LEU ALA THR HIS          
SEQRES  10 A  396  PHE THR THR HIS ILE ASP GLN SER ASN HIS GLN PRO LEU          
SEQRES  11 A  396  ALA PRO ILE GLN SER GLU ASP GLY ARG PHE VAL ILE GLU          
SEQRES  12 A  396  ILE THR ASN ALA LYS HIS VAL ILE ALA ALA GLY ASN GLY          
SEQRES  13 A  396  ILE SER ALA GLU SER GLN GLY GLN THR ILE THR MET THR          
SEQRES  14 A  396  PRO SER GLY GLN GLN ALA THR VAL GLY VAL ALA ALA LYS          
SEQRES  15 A  396  GLY PHE GLY THR SER ALA THR PRO GLU LEU ARG LEU LEU          
SEQRES  16 A  396  GLU SER ALA PRO TRP TYR GLN LYS SER LEU LYS SER GLN          
SEQRES  17 A  396  PHE ALA SER LEU THR SER ALA GLU ASN LEU ASP ASP LYS          
SEQRES  18 A  396  GLU LEU ALA ALA ASN VAL PHE ALA TYR LEU THR SER ILE          
SEQRES  19 A  396  TYR LEU LYS THR ALA GLU LEU ALA LYS LYS PHE GLY ILE          
SEQRES  20 A  396  TYR ILE ASN GLU TRP ASP PRO MET SER GLU GLN ILE THR          
SEQRES  21 A  396  PRO ASN ALA ASN GLY LEU THR ASP PRO LYS VAL LYS ASN          
SEQRES  22 A  396  ALA TRP GLU ILE LEU PRO ARG THR LYS PRO SER LYS ILE          
SEQRES  23 A  396  VAL GLU ILE LEU SER LYS SER ASP ALA LYS ALA VAL MET          
SEQRES  24 A  396  LYS HIS ILE LYS PRO GLN LEU GLN SER ARG TYR SER GLU          
SEQRES  25 A  396  SER LEU SER LYS ASN VAL PHE GLN TYR PHE GLN ASP GLY          
SEQRES  26 A  396  GLY GLU VAL ALA GLY HIS GLY ILE ASN ASN ALA THR VAL          
SEQRES  27 A  396  GLY ASP LYS HIS SER PRO GLU LEU ALA ILE LEU PHE GLU          
SEQRES  28 A  396  PHE ARG THR VAL PRO ASN GLU LEU GLN SER TYR LEU PRO          
SEQRES  29 A  396  LYS THR GLU SER THR THR LYS SER GLU VAL LYS LEU LEU          
SEQRES  30 A  396  ASP GLN PHE ASP PRO MET LYS ARG LYS THR VAL ILE GLN          
SEQRES  31 A  396  GLN VAL GLU SER LEU VAL                                      
HET    ADP  A 401      27                                                       
HET    GOL  A 402       6                                                       
HET     MG  A 403       1                                                       
HET     MG  A 404       1                                                       
HET    SO4  A 405       5                                                       
HET    SO4  A 406       5                                                       
HET    SO4  A 407       5                                                       
HET    SO4  A 408       5                                                       
HETNAM     ADP ADENOSINE-5'-DIPHOSPHATE                                         
HETNAM     GOL GLYCEROL                                                         
HETNAM      MG MAGNESIUM ION                                                    
HETNAM     SO4 SULFATE ION                                                      
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   2  ADP    C10 H15 N5 O10 P2                                            
FORMUL   3  GOL    C3 H8 O3                                                     
FORMUL   4   MG    2(MG 2+)                                                     
FORMUL   6  SO4    4(O4 S 2-)                                                   
FORMUL  10  HOH   *470(H2 O)                                                    
HELIX    1   1 PRO A   60  GLN A   64  5                                   5    
HELIX    2   2 ASP A   88  SER A  113  1                                  26    
HELIX    3   3 THR A  157  SER A  159  5                                   3    
HELIX    4   4 LYS A  170  PHE A  172  5                                   3    
HELIX    5   5 THR A  177  SER A  185  1                                   9    
HELIX    6   6 SER A  192  THR A  201  1                                  10    
HELIX    7   7 ASP A  208  GLY A  234  1                                  27    
HELIX    8   8 ASP A  241  GLN A  246  5                                   6    
HELIX    9   9 ASP A  256  GLU A  264  1                                   9    
HELIX   10  10 LYS A  270  LEU A  278  5                                   9    
HELIX   11  11 SER A  279  SER A  296  1                                  18    
HELIX   12  12 SER A  299  ASP A  312  1                                  14    
HELIX   13  13 PRO A  344  LEU A  351  5                                   8    
LINK         OE2 GLU A  16                MG    MG A 404     1555   1555  2.45  
LINK         OE1 GLN A 162                MG    MG A 403     1555   1555  2.57  
LINK         OE2 GLU A 339                MG    MG A 403     1555   1555  2.60  
LINK         O3B ADP A 401                MG    MG A 404     1555   1555  2.61  
LINK        MG    MG A 403                 O   HOH A 741     1555   1555  2.71  
LINK         O3A ADP A 401                MG    MG A 404     1555   1555  2.90  
SITE     1 AC1 17 PHE A   4  SER A  12  GLY A  14  ILE A  15                    
SITE     2 AC1 17 GLU A  16  VAL A  80  SER A  81  PRO A  83                    
SITE     3 AC1 17 THR A 164  ARG A 268  ILE A 321  LEU A 337                    
SITE     4 AC1 17  MG A 404  HOH A 759  HOH A 834  HOH A 855                    
SITE     5 AC1 17 HOH A 896                                                     
SITE     1 AC2  7 LYS A  50  ASN A  53  GLY A  55  SER A  56                    
SITE     2 AC2  7 HIS A  75  HOH A 585  HOH A 589                               
SITE     1 AC3  4 GLU A  16  GLN A 162  GLU A 339  HOH A 741                    
SITE     1 AC4  3 GLU A  16  GLU A  78  ADP A 401                               
SITE     1 AC5  6 PRO A 257  LYS A 260  ARG A 341  HOH A 711                    
SITE     2 AC5  6 HOH A 741  HOH A 754                                          
SITE     1 AC6  7 GLY A 142  ASN A 143  GLY A 144  ILE A 145                    
SITE     2 AC6  7 SER A 146  HOH A 609  HOH A 944                               
SITE     1 AC7  7 TRP A 101  HIS A 105  ILE A 121  GLU A 124                    
SITE     2 AC7  7 HOH A 579  HOH A 636  HOH A 854                               
SITE     1 AC8  5 ALA A  31  GLN A  32  LYS A  33  HOH A 904                    
SITE     2 AC8  5 HOH A 934                                                     
CRYST1  128.460  128.460   76.390  90.00  90.00  90.00 P 43 2 2      8          
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      0.007785  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.007785  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013091        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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