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Database: PDB
Entry: 4DTF
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HEADER    TOXIN                                   21-FEB-12   4DTF              
TITLE     STRUCTURE OF A VGRG VIBRIO CHOLERAE TOXIN ACD DOMAIN IN COMPLEX WITH  
TITLE    2 AMP-PNP AND MG++                                                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: VGRG PROTEIN;                                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: 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: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PETG-20A                                  
KEYWDS    ALPHA/BETA PROTEIN, 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 4DTF    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 OF A VGRG VIBRIO CHOLERAE TOXIN ACD DOMAIN IN      
JRNL        TITL 2 COMPLEX WITH AMP-PNP AND MG++                                
JRNL        REF    J.BIOL.CHEM.                               2012              
JRNL        REFN                   ESSN 1083-351X                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.12 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) : 2.12                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 45.39                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 36813                          
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)  : 0.178                          
REMARK   3   R VALUE            (WORKING SET)  : 0.177                          
REMARK   3   FREE R VALUE                      : 0.199                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%)  : 3.490                          
REMARK   3   FREE R VALUE TEST SET COUNT       : 1284                           
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               : 18                       
REMARK   3   BIN RESOLUTION RANGE HIGH   (ANGSTROMS) : 2.12                     
REMARK   3   BIN RESOLUTION RANGE LOW    (ANGSTROMS) : 2.18                     
REMARK   3   BIN COMPLETENESS (WORKING+TEST)     (%) : 99.84                    
REMARK   3   REFLECTIONS IN BIN (WORKING + TEST SET) : 2941                     
REMARK   3   BIN R VALUE        (WORKING + TEST SET) : 0.2057                   
REMARK   3   REFLECTIONS IN BIN        (WORKING SET) : 2855                     
REMARK   3   BIN R VALUE               (WORKING SET) : 0.2047                   
REMARK   3   BIN FREE R VALUE                        : 0.2372                   
REMARK   3   BIN FREE R VALUE TEST SET SIZE      (%) : 2.92                     
REMARK   3   BIN FREE R VALUE TEST SET COUNT         : 86                       
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          : 59                                      
REMARK   3   SOLVENT ATOMS            : 504                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 28.97                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 30.67                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -2.77560                                             
REMARK   3    B22 (A**2) : -2.77560                                             
REMARK   3    B33 (A**2) : 5.55120                                              
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) : 0.24                
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) : 0.14                
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      : 0.940                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.930                         
REMARK   3                                                                      
REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15                    
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.          
REMARK   3    BOND LENGTHS              : 2899   ; 2.000  ; HARMONIC            
REMARK   3    BOND ANGLES               : 3950   ; 2.000  ; HARMONIC            
REMARK   3    TORSION ANGLES            : 996    ; 2.000  ; SINUSOIDAL          
REMARK   3    TRIGONAL CARBON PLANES    : 81     ; 2.000  ; HARMONIC            
REMARK   3    GENERAL PLANES            : 424    ; 5.000  ; HARMONIC            
REMARK   3    ISOTROPIC THERMAL FACTORS : 2899   ; 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   : 386    ; 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   : 3743   ; 4.000  ; SEMIHARMONIC        
REMARK   3                                                                      
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.                                  
REMARK   3    BOND LENGTHS                       (A) : 0.009                    
REMARK   3    BOND ANGLES                  (DEGREES) : 1.06                     
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 3.27                     
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : 19.19                    
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):   34.2694   89.1299   16.5330           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0206 T22:    0.0257                                    
REMARK   3     T33:   -0.0033 T12:   -0.0145                                    
REMARK   3     T13:    0.0226 T23:    0.0057                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.1945 L22:    0.1096                                    
REMARK   3     L33:    0.0009 L12:    0.2822                                    
REMARK   3     L13:    0.0853 L23:   -0.1189                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0020 S12:   -0.0052 S13:   -0.0021                     
REMARK   3     S21:    0.0040 S22:   -0.0015 S23:   -0.0061                     
REMARK   3     S31:    0.0036 S32:   -0.0046 S33:   -0.0005                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: A 18 A 53                                              
REMARK   3    ORIGIN FOR THE GROUP (A):   45.9910   89.8896    6.2196           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0450 T22:    0.0579                                    
REMARK   3     T33:   -0.0197 T12:   -0.0103                                    
REMARK   3     T13:   -0.0013 T23:   -0.0052                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.6372 L22:    0.0000                                    
REMARK   3     L33:    0.0419 L12:    0.3586                                    
REMARK   3     L13:   -0.3733 L23:    0.3733                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0047 S12:    0.0111 S13:   -0.0187                     
REMARK   3     S21:    0.0043 S22:   -0.0046 S23:    0.0074                     
REMARK   3     S31:   -0.0014 S32:   -0.0076 S33:   -0.0001                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: A 54 A 78                                              
REMARK   3    ORIGIN FOR THE GROUP (A):   55.1876   87.9440   -7.2347           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0480 T22:    0.0555                                    
REMARK   3     T33:   -0.0097 T12:    0.0181                                    
REMARK   3     T13:   -0.0016 T23:   -0.0312                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.2543 L22:    0.0596                                    
REMARK   3     L33:    0.6368 L12:    0.0343                                    
REMARK   3     L13:    0.2756 L23:    0.1833                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0001 S12:    0.0079 S13:   -0.0127                     
REMARK   3     S21:   -0.0046 S22:    0.0040 S23:   -0.0011                     
REMARK   3     S31:    0.0027 S32:   -0.0038 S33:   -0.0041                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: A 79 A 116                                             
REMARK   3    ORIGIN FOR THE GROUP (A):   46.3803   98.4685   11.3272           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0656 T22:    0.0485                                    
REMARK   3     T33:   -0.0200 T12:   -0.0423                                    
REMARK   3     T13:    0.0003 T23:   -0.0001                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.6399 L22:    0.1422                                    
REMARK   3     L33:    0.7646 L12:    0.1118                                    
REMARK   3     L13:    1.1115 L23:    0.1453                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0009 S12:   -0.0006 S13:    0.0175                     
REMARK   3     S21:    0.0177 S22:   -0.0174 S23:   -0.0014                     
REMARK   3     S31:   -0.0055 S32:   -0.0055 S33:    0.0183                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: A 117 A 143                                            
REMARK   3    ORIGIN FOR THE GROUP (A):   54.0286   93.1364    9.4678           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0393 T22:    0.0539                                    
REMARK   3     T33:   -0.0220 T12:   -0.0048                                    
REMARK   3     T13:   -0.0048 T23:   -0.0258                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.0578 L22:    0.0000                                    
REMARK   3     L33:    0.0182 L12:   -0.0001                                    
REMARK   3     L13:   -0.0226 L23:    0.2221                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0019 S12:   -0.0072 S13:   -0.0065                     
REMARK   3     S21:    0.0034 S22:   -0.0044 S23:   -0.0043                     
REMARK   3     S31:   -0.0011 S32:    0.0079 S33:    0.0025                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: A 144 A 170                                            
REMARK   3    ORIGIN FOR THE GROUP (A):   40.6334   99.0106    2.8176           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0315 T22:    0.0123                                    
REMARK   3     T33:   -0.0060 T12:    0.0006                                    
REMARK   3     T13:    0.0234 T23:    0.0015                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.1488 L22:    0.1786                                    
REMARK   3     L33:    0.6084 L12:    0.2945                                    
REMARK   3     L13:    0.6983 L23:   -0.1944                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0002 S12:    0.0015 S13:    0.0146                     
REMARK   3     S21:   -0.0116 S22:   -0.0106 S23:    0.0048                     
REMARK   3     S31:   -0.0164 S32:    0.0003 S33:    0.0108                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: A 171 A 206                                            
REMARK   3    ORIGIN FOR THE GROUP (A):    9.1992   91.1095   13.1934           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0859 T22:    0.0767                                    
REMARK   3     T33:    0.0003 T12:    0.0373                                    
REMARK   3     T13:   -0.0038 T23:   -0.0491                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.6065 L22:    0.0000                                    
REMARK   3     L33:    0.1830 L12:   -0.3791                                    
REMARK   3     L13:   -0.2348 L23:    0.2379                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0012 S12:   -0.0109 S13:    0.0056                     
REMARK   3     S21:    0.0101 S22:    0.0052 S23:    0.0022                     
REMARK   3     S31:   -0.0102 S32:   -0.0148 S33:   -0.0064                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: A 207 A 236                                            
REMARK   3    ORIGIN FOR THE GROUP (A):   12.4183   85.5147    3.9938           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0955 T22:    0.0727                                    
REMARK   3     T33:    0.0029 T12:    0.0206                                    
REMARK   3     T13:   -0.0241 T23:   -0.0211                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.1391 L22:    0.0128                                    
REMARK   3     L33:    0.0334 L12:    0.1022                                    
REMARK   3     L13:    0.6820 L23:   -0.1088                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0027 S12:   -0.0335 S13:   -0.0002                     
REMARK   3     S21:   -0.0048 S22:   -0.0037 S23:    0.0042                     
REMARK   3     S31:    0.0007 S32:   -0.0149 S33:    0.0010                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: A 237 A 269                                            
REMARK   3    ORIGIN FOR THE GROUP (A):   20.5767   85.8266   -7.1184           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0410 T22:    0.0598                                    
REMARK   3     T33:   -0.0294 T12:   -0.0063                                    
REMARK   3     T13:   -0.0172 T23:    0.0194                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.9357 L22:    0.0000                                    
REMARK   3     L33:    0.4411 L12:    0.1695                                    
REMARK   3     L13:   -0.5341 L23:   -0.2469                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0095 S12:    0.0059 S13:    0.0051                     
REMARK   3     S21:   -0.0115 S22:    0.0097 S23:   -0.0032                     
REMARK   3     S31:    0.0111 S32:    0.0019 S33:   -0.0002                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: A 270 A 319                                            
REMARK   3    ORIGIN FOR THE GROUP (A):   12.0329   78.1646    4.6644           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.1248 T22:    0.0937                                    
REMARK   3     T33:    0.0193 T12:   -0.0231                                    
REMARK   3     T13:   -0.0303 T23:    0.0364                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.3190 L22:    0.0000                                    
REMARK   3     L33:    0.7432 L12:    0.1881                                    
REMARK   3     L13:   -0.1819 L23:   -0.5994                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0028 S12:   -0.0081 S13:   -0.0267                     
REMARK   3     S21:    0.0020 S22:   -0.0111 S23:    0.0057                     
REMARK   3     S31:    0.0158 S32:   -0.0169 S33:    0.0083                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: A 320 A 343                                            
REMARK   3    ORIGIN FOR THE GROUP (A):   26.1991   86.3758   15.7524           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0299 T22:    0.0438                                    
REMARK   3     T33:   -0.0154 T12:   -0.0089                                    
REMARK   3     T13:   -0.0268 T23:    0.0239                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.4917 L22:    0.0312                                    
REMARK   3     L33:    0.0793 L12:    0.5246                                    
REMARK   3     L13:    0.4237 L23:   -0.0677                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0031 S12:   -0.0038 S13:   -0.0022                     
REMARK   3     S21:    0.0065 S22:   -0.0043 S23:   -0.0025                     
REMARK   3     S31:    0.0014 S32:   -0.0090 S33:    0.0012                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: A 344 A 354                                            
REMARK   3    ORIGIN FOR THE GROUP (A):   32.0607  104.6550   10.6826           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0106 T22:    0.0068                                    
REMARK   3     T33:    0.0048 T12:    0.0077                                    
REMARK   3     T13:    0.0062 T23:   -0.0159                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.0194 L22:    0.0414                                    
REMARK   3     L33:    0.0100 L12:   -0.0064                                    
REMARK   3     L13:    0.0149 L23:    0.1034                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0000 S12:   -0.0028 S13:    0.0021                     
REMARK   3     S21:   -0.0022 S22:   -0.0001 S23:    0.0029                     
REMARK   3     S31:   -0.0043 S32:   -0.0014 S33:    0.0000                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: A 401 A 401                                            
REMARK   3    ORIGIN FOR THE GROUP (A):   33.6789   88.3663    9.2644           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0051 T22:    0.0041                                    
REMARK   3     T33:    0.0006 T12:   -0.0082                                    
REMARK   3     T13:   -0.0048 T23:   -0.0010                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.0214 L22:    0.0000                                    
REMARK   3     L33:    0.0000 L12:    0.0351                                    
REMARK   3     L13:    0.0121 L23:    0.0143                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0004 S12:    0.0005 S13:   -0.0002                     
REMARK   3     S21:   -0.0032 S22:   -0.0008 S23:   -0.0008                     
REMARK   3     S31:    0.0014 S32:    0.0003 S33:    0.0005                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4DTF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-FEB-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB070759.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 20-JAN-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          : OTHER                              
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 : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 36963                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.120                              
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                : 15.600                             
REMARK 200  R MERGE                    (I) : 0.06800                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 26.1000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.12                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.17                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 14.00                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.48000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.300                              
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: 4DTD                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 65.95                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.61                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: MIXING 300 NL OF PROTEIN AT 13MG/ML      
REMARK 280  WITH 100 NL OF 2.4 M AMSO4, 0.1 M BI-TRIS PH 6,3., TEMPERATURE      
REMARK 280  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       38.29000            
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       57.43500            
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       19.14500            
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       38.29000            
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       19.14500            
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       57.43500            
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     -151.24   -132.67                                   
REMARK 500    ASP A  51      -92.67   -122.36                                   
REMARK 500    ASN A 238     -112.30     52.53                                   
REMARK 500    GLU A 264      -59.00     72.44                                   
REMARK 500    ALA A 317       71.16   -153.42                                   
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 707        DISTANCE =  7.07 ANGSTROMS                       
REMARK 525    HOH A 772        DISTANCE =  7.08 ANGSTROMS                       
REMARK 525    HOH A 821        DISTANCE =  5.55 ANGSTROMS                       
REMARK 525    HOH A 838        DISTANCE =  5.24 ANGSTROMS                       
REMARK 525    HOH A 872        DISTANCE =  5.84 ANGSTROMS                       
REMARK 525    HOH A 893        DISTANCE =  6.24 ANGSTROMS                       
REMARK 525    HOH A 939        DISTANCE =  5.66 ANGSTROMS                       
REMARK 525    HOH A 967        DISTANCE =  5.19 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 ANP A 401   O2B                                                    
REMARK 620 2 GLU A  16   OE2 126.6                                              
REMARK 620 N                    1                                               
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  97.5                                              
REMARK 620 3 HOH A 790   O   134.2 111.6                                        
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 ANP 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 NATIVE SE TOXIN ACD DOMAIN                                           
REMARK 900 RELATED ID: 4DTH   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4DTL   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4DTQ   RELATED DB: PDB                                   
DBREF  4DTF A  -11   384  UNP    Q9KS45   Q9KS45_VIBCH   716   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    ANP  A 401      31                                                       
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     ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER                      
HETNAM     GOL GLYCEROL                                                         
HETNAM      MG MAGNESIUM ION                                                    
HETNAM     SO4 SULFATE ION                                                      
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   2  ANP    C10 H17 N6 O12 P3                                            
FORMUL   3  GOL    C3 H8 O3                                                     
FORMUL   4   MG    2(MG 2+)                                                     
FORMUL   6  SO4    4(O4 S 2-)                                                   
FORMUL  10  HOH   *504(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    
SHEET    1   A10 VAL A 138  ALA A 141  0                                        
SHEET    2   A10 LEU A  22  MET A  26 -1  N  VAL A  23   O  ALA A 140           
SHEET    3   A10 GLN A  73  SER A  81 -1  O  GLN A  73   N  MET A  26           
SHEET    4   A10 ALA A  44  SER A  56 -1  N  GLY A  55   O  THR A  74           
SHEET    5   A10 LYS A  33  SER A  39 -1  N  VAL A  37   O  LEU A  45           
SHEET    6   A10 PHE A 128  ILE A 132 -1  O  GLU A 131   N  TYR A  36           
SHEET    7   A10 HIS A   7  PHE A   8  0                                        
SHEET    8   A10 THR A 325  VAL A 326  1  O  THR A 325   N  PHE A   8           
SHEET    9   A10 GLU A 333  PHE A 340 -1  O  GLU A 333   N  VAL A 326           
SHEET   10   A10 ILE A 265  PRO A 267 -1  N  LEU A 266   O  GLU A 339           
SHEET    1   B 3 GLN A 161  ALA A 168  0                                        
SHEET    2   B 3 SER A  12  GLU A  18 -1  N  GLY A  14   O  THR A 164           
SHEET    3   B 3 CYS A  84  GLU A  85 -1  O  CYS A  84   N  ILE A  13           
LINK         O2B ANP A 401                MG    MG A 404     1555   1555  2.18  
LINK         OE1 GLN A 162                MG    MG A 403     1555   1555  2.45  
LINK         OE2 GLU A 339                MG    MG A 403     1555   1555  2.61  
LINK         OE2 GLU A  16                MG    MG A 404     1555   1555  2.71  
LINK        MG    MG A 403                 O   HOH A 790     1555   1555  2.76  
SITE     1 AC1 18 PHE A   4  SER A  12  GLY A  14  ILE A  15                    
SITE     2 AC1 18 GLU A  16  VAL A  80  SER A  81  PRO A  83                    
SITE     3 AC1 18 THR A 164  LEU A 337   MG A 404  HOH A 727                    
SITE     4 AC1 18 HOH A 822  HOH A 905  HOH A 925  HOH A 965                    
SITE     5 AC1 18 HOH A 972  HOH A1004                                          
SITE     1 AC2  6 GLN A  32  LYS A  50  SER A  56  HIS A  75                    
SITE     2 AC2  6 HOH A 596  HOH A 868                                          
SITE     1 AC3  4 GLU A  16  GLN A 162  GLU A 339  HOH A 790                    
SITE     1 AC4  4 GLU A  16  GLU A  78  VAL A  80  ANP A 401                    
SITE     1 AC5  7 PRO A 257  LYS A 260  ARG A 341  HOH A 740                    
SITE     2 AC5  7 HOH A 790  HOH A 792  HOH A 813                               
SITE     1 AC6 10 ALA A 141  GLY A 142  ASN A 143  GLY A 144                    
SITE     2 AC6 10 ILE A 145  SER A 146  HOH A 558  HOH A 620                    
SITE     3 AC6 10 HOH A 791  HOH A 880                                          
SITE     1 AC7  7 TRP A 101  HIS A 105  ILE A 121  SER A 123                    
SITE     2 AC7  7 GLU A 124  HOH A 588  HOH A 649                               
SITE     1 AC8  6 SER A 159  GLN A 162  ASN A 261  ARG A 341                    
SITE     2 AC8  6 HOH A 964  HOH A 992                                          
CRYST1  128.390  128.390   76.580  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      0.007789  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.007789  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013058        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system