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Database: PDB
Entry: 5EZD
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HEADER    HYDROLASE                               26-NOV-15   5EZD              
TITLE     CRYSTAL STRUCTURE OF A HEPATOCYTE GROWTH FACTOR ACTIVATOR INHIBITOR-1 
TITLE    2 (HAI-1) FRAGMENT COVERING THE PKD-LIKE 'INTERNAL' DOMAIN AND KUNITZ  
TITLE    3 DOMAIN 1                                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: KUNITZ-TYPE PROTEASE INHIBITOR 1;                          
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 168-303;                                      
COMPND   5 SYNONYM: HEPATOCYTE GROWTH FACTOR ACTIVATOR INHIBITOR TYPE 1,HAI-1;  
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: SPINT1, HAI1, UNQ223/PRO256;                                   
SOURCE   6 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS CBS 7435;                   
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 981350                                      
KEYWDS    TRANSMEMBRANE, MULTIDOMAIN, SERINE PROTEASE INHIBITOR, TERTIARY       
KEYWDS   2 STRUCTURE, HYDROLASE                                                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Z.HONG,P.A.ANDREASEN,J.P.MORTH,J.K.JENSEN                             
REVDAT   3   13-JUL-16 5EZD    1       JRNL                                     
REVDAT   2   01-JUN-16 5EZD    1       JRNL                                     
REVDAT   1   18-MAY-16 5EZD    0                                                
JRNL        AUTH   Z.HONG,L.DE MEULEMEESTER,A.JACOBI,J.S.PEDERSEN,J.P.MORTH,    
JRNL        AUTH 2 P.A.ANDREASEN,J.K.JENSEN                                     
JRNL        TITL   CRYSTAL STRUCTURE OF A TWO-DOMAIN FRAGMENT OF HEPATOCYTE     
JRNL        TITL 2 GROWTH FACTOR ACTIVATOR INHIBITOR-1: FUNCTIONAL INTERACTIONS 
JRNL        TITL 3 BETWEEN THE KUNITZ-TYPE INHIBITOR DOMAIN-1 AND THE           
JRNL        TITL 4 NEIGHBORING POLYCYSTIC KIDNEY DISEASE-LIKE DOMAIN.           
JRNL        REF    J.BIOL.CHEM.                  V. 291 14340 2016              
JRNL        REFN                   ESSN 1083-351X                               
JRNL        PMID   27189939                                                     
JRNL        DOI    10.1074/JBC.M115.707240                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.10 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.9_1692                                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 24.14                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.210                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 36191                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.222                           
REMARK   3   R VALUE            (WORKING SET) : 0.220                           
REMARK   3   FREE R VALUE                     : 0.257                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.950                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1792                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 24.1449 -  4.9255    0.97     2643   106  0.2214 0.2223        
REMARK   3     2  4.9255 -  3.9149    0.96     2552   148  0.1893 0.2420        
REMARK   3     3  3.9149 -  3.4216    0.96     2571   139  0.2010 0.2827        
REMARK   3     4  3.4216 -  3.1095    0.97     2612   175  0.2301 0.2160        
REMARK   3     5  3.1095 -  2.8870    0.99     2605   167  0.2335 0.2467        
REMARK   3     6  2.8870 -  2.7170    0.99     2682   124  0.2356 0.2807        
REMARK   3     7  2.7170 -  2.5811    0.99     2670   145  0.2351 0.2450        
REMARK   3     8  2.5811 -  2.4689    0.99     2680   136  0.2373 0.3715        
REMARK   3     9  2.4689 -  2.3739    1.00     2690   107  0.2492 0.3793        
REMARK   3    10  2.3739 -  2.2920    0.99     2704   140  0.2854 0.3684        
REMARK   3    11  2.2920 -  2.2204    0.99     2645   133  0.2882 0.3583        
REMARK   3    12  2.2204 -  2.1570    0.99     2678   167  0.2806 0.2859        
REMARK   3    13  2.1570 -  2.1002    0.98     2667   105  0.3053 0.3086        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.290            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 28.430           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.008           1980                                  
REMARK   3   ANGLE     :  1.144           2660                                  
REMARK   3   CHIRALITY :  0.039            296                                  
REMARK   3   PLANARITY :  0.006            338                                  
REMARK   3   DIHEDRAL  : 13.732            736                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 17                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 166 THROUGH 173 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   0.4983  -0.2038  17.7941              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5309 T22:   0.9307                                     
REMARK   3      T33:   0.7412 T12:   0.0571                                     
REMARK   3      T13:  -0.1343 T23:  -0.2072                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.4561 L22:   4.0277                                     
REMARK   3      L33:   5.7238 L12:   3.9924                                     
REMARK   3      L13:   7.1039 L23:   2.0521                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2064 S12:  -1.0236 S13:  -0.3227                       
REMARK   3      S21:   0.1991 S22:   0.4386 S23:  -0.5743                       
REMARK   3      S31:   0.0332 S32:   1.1139 S33:  -0.5265                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 174 THROUGH 189 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -12.9212  -2.9977  15.8685              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2900 T22:   0.7883                                     
REMARK   3      T33:   1.0226 T12:  -0.1080                                     
REMARK   3      T13:   0.2249 T23:  -0.4357                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8632 L22:   0.4433                                     
REMARK   3      L33:   0.5215 L12:   0.3311                                     
REMARK   3      L13:   0.0603 L23:  -0.2078                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0781 S12:   0.5871 S13:   0.1256                       
REMARK   3      S21:  -0.0814 S22:  -0.0445 S23:   0.1461                       
REMARK   3      S31:   0.0149 S32:  -0.1714 S33:   0.5716                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 190 THROUGH 198 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -11.4802   9.6734  20.9436              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7069 T22:   1.1018                                     
REMARK   3      T33:   1.5064 T12:   0.2400                                     
REMARK   3      T13:  -0.2054 T23:  -0.3823                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.9326 L22:   5.3225                                     
REMARK   3      L33:   2.3487 L12:  -2.3663                                     
REMARK   3      L13:   2.7255 L23:  -0.7571                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.9958 S12:   0.1017 S13:   0.1049                       
REMARK   3      S21:  -0.7393 S22:  -0.7659 S23:   0.5827                       
REMARK   3      S31:  -1.0366 S32:  -1.6937 S33:   1.0878                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 199 THROUGH 208 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -15.4150  -2.9400  24.7808              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9084 T22:   1.3219                                     
REMARK   3      T33:   1.3628 T12:  -0.2456                                     
REMARK   3      T13:   0.1513 T23:  -0.3474                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3435 L22:   2.8547                                     
REMARK   3      L33:   9.7174 L12:   1.7418                                     
REMARK   3      L13:  -2.7449 L23:   0.9162                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2079 S12:  -1.9941 S13:   0.3139                       
REMARK   3      S21:   2.2188 S22:  -0.8621 S23:   2.7715                       
REMARK   3      S31:   0.1720 S32:  -0.7941 S33:   0.9237                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 209 THROUGH 250 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.4331   2.5318  14.1240              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6341 T22:   0.5973                                     
REMARK   3      T33:   0.8136 T12:   0.0800                                     
REMARK   3      T13:  -0.1178 T23:  -0.0905                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.5636 L22:   5.2137                                     
REMARK   3      L33:   4.4734 L12:  -0.0190                                     
REMARK   3      L13:  -0.3349 L23:   1.9234                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1330 S12:  -0.0674 S13:   1.1995                       
REMARK   3      S21:  -0.0577 S22:  -0.5652 S23:   1.0073                       
REMARK   3      S31:  -0.8052 S32:  -1.6511 S33:   0.3989                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 251 THROUGH 262 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  11.6029  -7.5121   1.3263              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7135 T22:   0.8410                                     
REMARK   3      T33:   0.4982 T12:  -0.0653                                     
REMARK   3      T13:   0.1208 T23:  -0.0719                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1023 L22:   8.8405                                     
REMARK   3      L33:   9.2235 L12:   0.8720                                     
REMARK   3      L13:   5.5078 L23:   2.3373                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2928 S12:   0.9827 S13:  -0.4442                       
REMARK   3      S21:  -0.8463 S22:   0.4533 S23:  -1.4543                       
REMARK   3      S31:  -0.1401 S32:   1.3674 S33:  -0.2846                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 263 THROUGH 280 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   1.7417 -12.6039   4.1674              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8137 T22:   0.5061                                     
REMARK   3      T33:   0.4972 T12:  -0.0039                                     
REMARK   3      T13:  -0.0476 T23:  -0.0437                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8900 L22:   7.5036                                     
REMARK   3      L33:   6.7524 L12:  -2.3261                                     
REMARK   3      L13:  -0.8393 L23:  -0.3368                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0914 S12:   0.4463 S13:  -0.9240                       
REMARK   3      S21:  -0.7614 S22:   0.1729 S23:   1.0139                       
REMARK   3      S31:   1.3828 S32:  -0.2686 S33:  -0.2740                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 281 THROUGH 304 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.1302  -7.1961   7.6226              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6113 T22:   0.5815                                     
REMARK   3      T33:   0.5821 T12:  -0.1019                                     
REMARK   3      T13:  -0.0819 T23:  -0.0156                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.5025 L22:   8.2288                                     
REMARK   3      L33:   8.1703 L12:   1.2910                                     
REMARK   3      L13:  -5.6123 L23:   0.9862                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2299 S12:  -0.0415 S13:   0.4765                       
REMARK   3      S21:  -0.0969 S22:  -0.0962 S23:   1.0144                       
REMARK   3      S31:   0.0222 S32:  -0.0976 S33:  -0.2026                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 166 THROUGH 173 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  13.9182   1.0120  19.0256              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5269 T22:   0.6553                                     
REMARK   3      T33:   0.9967 T12:  -0.0866                                     
REMARK   3      T13:   0.0333 T23:  -0.1448                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3569 L22:   4.5601                                     
REMARK   3      L33:   5.6352 L12:   3.9078                                     
REMARK   3      L13:  -1.0938 L23:  -1.0618                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3573 S12:  -0.4112 S13:  -0.3376                       
REMARK   3      S21:  -0.0535 S22:  -0.8359 S23:   1.7192                       
REMARK   3      S31:   0.3312 S32:  -0.3093 S33:   0.2971                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 174 THROUGH 189 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  27.3353   2.9293  21.8315              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3137 T22:   0.9618                                     
REMARK   3      T33:   0.7966 T12:   0.2139                                     
REMARK   3      T13:  -0.0311 T23:  -0.4607                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4355 L22:   0.1807                                     
REMARK   3      L33:   0.9438 L12:   0.4510                                     
REMARK   3      L13:  -0.3767 L23:   0.0631                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1776 S12:  -0.0384 S13:   0.5245                       
REMARK   3      S21:   0.0145 S22:   0.0115 S23:  -0.1303                       
REMARK   3      S31:  -0.1821 S32:   0.1215 S33:  -0.4473                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 190 THROUGH 198 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  25.9003  -2.1257   9.1501              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7164 T22:   1.6314                                     
REMARK   3      T33:   1.1394 T12:  -0.3321                                     
REMARK   3      T13:   0.2279 T23:  -0.4370                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.7777 L22:   2.8632                                     
REMARK   3      L33:   3.9735 L12:  -0.9084                                     
REMARK   3      L13:  -2.1013 L23:  -2.8191                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6730 S12:   0.3803 S13:   0.5318                       
REMARK   3      S21:  -0.8204 S22:   1.4550 S23:  -1.3112                       
REMARK   3      S31:  -0.5883 S32:   0.5597 S33:  -0.6888                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 199 THROUGH 208 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  29.8251  -5.9845  21.7608              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9649 T22:   1.3957                                     
REMARK   3      T33:   1.3245 T12:   0.1247                                     
REMARK   3      T13:  -0.2279 T23:  -0.2777                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3645 L22:   3.6126                                     
REMARK   3      L33:   1.9415 L12:  -2.1382                                     
REMARK   3      L13:  -0.0319 L23:   0.7515                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1752 S12:   0.4488 S13:  -2.4709                       
REMARK   3      S21:  -0.0177 S22:   0.3330 S23:  -0.5856                       
REMARK   3      S31:   1.9871 S32:   3.1823 S33:  -0.6704                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 209 THROUGH 233 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  24.4894  -1.4579  15.6667              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7244 T22:   1.2537                                     
REMARK   3      T33:   0.8439 T12:  -0.0246                                     
REMARK   3      T13:   0.0588 T23:  -0.3309                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.1967 L22:   6.7819                                     
REMARK   3      L33:   7.2194 L12:  -1.0407                                     
REMARK   3      L13:   2.0324 L23:   3.9554                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1068 S12:   1.1632 S13:  -0.5080                       
REMARK   3      S21:  -0.2771 S22:   1.0389 S23:  -1.5452                       
REMARK   3      S31:   0.3681 S32:   1.2525 S33:  -0.8218                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 234 THROUGH 250 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  19.0391  11.2249  16.9818              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4553 T22:   0.4680                                     
REMARK   3      T33:   0.4286 T12:  -0.1582                                     
REMARK   3      T13:   0.1110 T23:   0.0404                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8064 L22:   1.3581                                     
REMARK   3      L33:   5.1918 L12:  -2.5475                                     
REMARK   3      L13:   0.5973 L23:  -0.1293                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1203 S12:   0.6451 S13:   1.0309                       
REMARK   3      S21:  -0.4225 S22:   0.0093 S23:  -0.9108                       
REMARK   3      S31:  -1.0792 S32:   0.6321 S33:  -0.0907                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 251 THROUGH 262 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   2.8130  17.4692  26.3556              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6893 T22:   0.4363                                     
REMARK   3      T33:   0.8635 T12:   0.1078                                     
REMARK   3      T13:  -0.0532 T23:  -0.1151                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.8824 L22:   6.8507                                     
REMARK   3      L33:   7.9528 L12:   4.2628                                     
REMARK   3      L13:  -0.1042 L23:   1.8900                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1038 S12:  -0.4086 S13:   0.9001                       
REMARK   3      S21:   0.2526 S22:  -0.1976 S23:   0.8519                       
REMARK   3      S31:  -0.7840 S32:  -1.2027 S33:   0.2146                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 263 THROUGH 280 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  12.6676  14.6174  31.4487              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7919 T22:   0.3900                                     
REMARK   3      T33:   0.5332 T12:  -0.0526                                     
REMARK   3      T13:  -0.0071 T23:  -0.0281                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1776 L22:   6.2030                                     
REMARK   3      L33:   8.2510 L12:  -0.7125                                     
REMARK   3      L13:  -0.8678 L23:   0.6100                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0371 S12:  -0.7478 S13:   0.7622                       
REMARK   3      S21:   1.3743 S22:  -0.0620 S23:  -0.2597                       
REMARK   3      S31:  -0.7368 S32:   0.9565 S33:   0.1591                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 281 THROUGH 304 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  14.5418  11.1703  26.0364              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6146 T22:   0.5303                                     
REMARK   3      T33:   0.5766 T12:  -0.0935                                     
REMARK   3      T13:  -0.1114 T23:  -0.0131                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.8853 L22:   5.5139                                     
REMARK   3      L33:   7.5785 L12:  -5.3920                                     
REMARK   3      L13:  -0.0482 L23:   1.2677                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1988 S12:   0.6712 S13:  -0.0294                       
REMARK   3      S21:   0.0169 S22:  -0.1895 S23:  -0.1200                       
REMARK   3      S31:  -0.1659 S32:   1.0685 S33:   0.0174                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : 1                                           
REMARK   3   NCS GROUP : 1                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: CHAIN A AND (RESSEQ 166:181 OR RESSEQ       
REMARK   3                          189:202 OR RESSEQ 207:224 OR RESSEQ 233:    
REMARK   3                          304 )                                       
REMARK   3     SELECTION          : CHAIN B AND (RESSEQ 166:181 OR RESSEQ       
REMARK   3                          189:202 OR RESSEQ 207:224 OR RESSEQ 233:    
REMARK   3                          304 )                                       
REMARK   3     ATOM PAIRS NUMBER  : 969                                         
REMARK   3     RMSD               : 0.012                                       
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5EZD COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 26-NOV-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000215732.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 31-JAN-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I02                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0                                
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XIA2                               
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 19615                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.100                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 53.170                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY                : 5.300                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.02900                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 22.8000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.15                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.58600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.500                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 4ISL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 49.34                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 28% W/V PEG 2000 MME, 0.1 M SODIUM       
REMARK 280  ACETATE PH 5.5, 0.2 M POTASSIUM BROMIDE, VAPOR DIFFUSION,           
REMARK 280  HANGING DROP, TEMPERATURE 293K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       28.82500            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       37.63000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       37.57000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       37.63000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       28.82500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       37.57000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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     LYS A   182                                                      
REMARK 465     ASP A   183                                                      
REMARK 465     VAL A   184                                                      
REMARK 465     GLU A   185                                                      
REMARK 465     ASN A   186                                                      
REMARK 465     THR A   187                                                      
REMARK 465     ASP A   188                                                      
REMARK 465     LYS A   203                                                      
REMARK 465     ASP A   204                                                      
REMARK 465     PRO A   205                                                      
REMARK 465     ASN A   206                                                      
REMARK 465     THR A   225                                                      
REMARK 465     SER A   226                                                      
REMARK 465     SER A   227                                                      
REMARK 465     ASP A   228                                                      
REMARK 465     HIS A   229                                                      
REMARK 465     PRO A   230                                                      
REMARK 465     GLU A   231                                                      
REMARK 465     ASP A   232                                                      
REMARK 465     HIS A   305                                                      
REMARK 465     HIS A   306                                                      
REMARK 465     HIS A   307                                                      
REMARK 465     HIS A   308                                                      
REMARK 465     HIS A   309                                                      
REMARK 465     HIS A   310                                                      
REMARK 465     LYS B   182                                                      
REMARK 465     ASP B   183                                                      
REMARK 465     VAL B   184                                                      
REMARK 465     GLU B   185                                                      
REMARK 465     ASN B   186                                                      
REMARK 465     THR B   187                                                      
REMARK 465     ASP B   188                                                      
REMARK 465     LYS B   203                                                      
REMARK 465     ASP B   204                                                      
REMARK 465     PRO B   205                                                      
REMARK 465     ASN B   206                                                      
REMARK 465     THR B   225                                                      
REMARK 465     SER B   226                                                      
REMARK 465     SER B   227                                                      
REMARK 465     ASP B   228                                                      
REMARK 465     HIS B   229                                                      
REMARK 465     PRO B   230                                                      
REMARK 465     GLU B   231                                                      
REMARK 465     ASP B   232                                                      
REMARK 465     HIS B   305                                                      
REMARK 465     HIS B   306                                                      
REMARK 465     HIS B   307                                                      
REMARK 465     HIS B   308                                                      
REMARK 465     HIS B   309                                                      
REMARK 465     HIS B   310                                                      
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    CYS A 250      -31.64   -135.17                                   
REMARK 500    ASN A 289      104.49   -168.27                                   
REMARK 500    CYS B 250      -31.03   -134.57                                   
REMARK 500    ASN B 289      104.13   -168.15                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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                               K A 401   K                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU A 294   OE1                                                    
REMARK 620 2 HOH A 512   O    70.0                                              
REMARK 620 3 HOH A 524   O   170.5 115.8                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                               K B 403   K                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU B 294   OE1                                                    
REMARK 620 2 HOH B 525   O   118.8                                              
REMARK 620 3 HOH B 526   O   168.6  55.2                                        
REMARK 620 4 HOH B 508   O    71.1 144.1 119.8                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue K A 401                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ACT B 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ACT B 402                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue K B 403                   
DBREF  5EZD A  168   303  UNP    O43278   SPIT1_HUMAN    168    303             
DBREF  5EZD B  168   303  UNP    O43278   SPIT1_HUMAN    168    303             
SEQADV 5EZD LYS A  166  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD ARG A  167  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD ASP A  304  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS A  305  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS A  306  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS A  307  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS A  308  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS A  309  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS A  310  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD LYS B  166  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD ARG B  167  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD ASP B  304  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS B  305  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS B  306  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS B  307  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS B  308  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS B  309  UNP  O43278              EXPRESSION TAG                 
SEQADV 5EZD HIS B  310  UNP  O43278              EXPRESSION TAG                 
SEQRES   1 A  145  LYS ARG GLY ILE ASP LEU LYS VAL GLN PRO GLN GLU PRO          
SEQRES   2 A  145  LEU VAL LEU LYS ASP VAL GLU ASN THR ASP TRP ARG LEU          
SEQRES   3 A  145  LEU ARG GLY ASP THR ASP VAL ARG VAL GLU ARG LYS ASP          
SEQRES   4 A  145  PRO ASN GLN VAL GLU LEU TRP GLY LEU LYS GLU GLY THR          
SEQRES   5 A  145  TYR LEU PHE GLN LEU THR VAL THR SER SER ASP HIS PRO          
SEQRES   6 A  145  GLU ASP THR ALA ASN VAL THR VAL THR VAL LEU SER THR          
SEQRES   7 A  145  LYS GLN THR GLU ASP TYR CYS LEU ALA SER ASN LYS VAL          
SEQRES   8 A  145  GLY ARG CYS ARG GLY SER PHE PRO ARG TRP TYR TYR ASP          
SEQRES   9 A  145  PRO THR GLU GLN ILE CYS LYS SER PHE VAL TYR GLY GLY          
SEQRES  10 A  145  CYS LEU GLY ASN LYS ASN ASN TYR LEU ARG GLU GLU GLU          
SEQRES  11 A  145  CYS ILE LEU ALA CYS ARG GLY VAL ASP HIS HIS HIS HIS          
SEQRES  12 A  145  HIS HIS                                                      
SEQRES   1 B  145  LYS ARG GLY ILE ASP LEU LYS VAL GLN PRO GLN GLU PRO          
SEQRES   2 B  145  LEU VAL LEU LYS ASP VAL GLU ASN THR ASP TRP ARG LEU          
SEQRES   3 B  145  LEU ARG GLY ASP THR ASP VAL ARG VAL GLU ARG LYS ASP          
SEQRES   4 B  145  PRO ASN GLN VAL GLU LEU TRP GLY LEU LYS GLU GLY THR          
SEQRES   5 B  145  TYR LEU PHE GLN LEU THR VAL THR SER SER ASP HIS PRO          
SEQRES   6 B  145  GLU ASP THR ALA ASN VAL THR VAL THR VAL LEU SER THR          
SEQRES   7 B  145  LYS GLN THR GLU ASP TYR CYS LEU ALA SER ASN LYS VAL          
SEQRES   8 B  145  GLY ARG CYS ARG GLY SER PHE PRO ARG TRP TYR TYR ASP          
SEQRES   9 B  145  PRO THR GLU GLN ILE CYS LYS SER PHE VAL TYR GLY GLY          
SEQRES  10 B  145  CYS LEU GLY ASN LYS ASN ASN TYR LEU ARG GLU GLU GLU          
SEQRES  11 B  145  CYS ILE LEU ALA CYS ARG GLY VAL ASP HIS HIS HIS HIS          
SEQRES  12 B  145  HIS HIS                                                      
HET      K  A 401       1                                                       
HET    ACT  B 401       4                                                       
HET    ACT  B 402       4                                                       
HET      K  B 403       1                                                       
HETNAM       K POTASSIUM ION                                                    
HETNAM     ACT ACETATE ION                                                      
FORMUL   3    K    2(K 1+)                                                      
FORMUL   4  ACT    2(C2 H3 O2 1-)                                               
FORMUL   7  HOH   *63(H2 O)                                                     
HELIX    1 AA1 SER A  242  LEU A  251  1                                  10    
HELIX    2 AA2 ARG A  292  ARG A  301  1                                  10    
HELIX    3 AA3 SER B  242  LEU B  251  1                                  10    
HELIX    4 AA4 ARG B  292  ARG B  301  1                                  10    
SHEET    1 AA1 4 ILE A 169  VAL A 173  0                                        
SHEET    2 AA1 4 ALA A 234  VAL A 240  1  O  THR A 239   N  LEU A 171           
SHEET    3 AA1 4 GLY A 216  LEU A 222 -1  N  PHE A 220   O  VAL A 236           
SHEET    4 AA1 4 ARG A 190  GLY A 194 -1  N  LEU A 192   O  LEU A 219           
SHEET    1 AA2 3 PRO A 178  VAL A 180  0                                        
SHEET    2 AA2 3 GLU A 209  TRP A 211 -1  O  LEU A 210   N  LEU A 179           
SHEET    3 AA2 3 ARG A 199  GLU A 201 -1  N  ARG A 199   O  TRP A 211           
SHEET    1 AA3 2 PHE A 263  ASP A 269  0                                        
SHEET    2 AA3 2 ILE A 274  TYR A 280 -1  O  TYR A 280   N  PHE A 263           
SHEET    1 AA4 4 ILE B 169  VAL B 173  0                                        
SHEET    2 AA4 4 ALA B 234  VAL B 240  1  O  THR B 237   N  ILE B 169           
SHEET    3 AA4 4 GLY B 216  LEU B 222 -1  N  PHE B 220   O  VAL B 236           
SHEET    4 AA4 4 ARG B 190  GLY B 194 -1  N  LEU B 192   O  LEU B 219           
SHEET    1 AA5 3 PRO B 178  VAL B 180  0                                        
SHEET    2 AA5 3 GLU B 209  TRP B 211 -1  O  LEU B 210   N  LEU B 179           
SHEET    3 AA5 3 ARG B 199  GLU B 201 -1  N  ARG B 199   O  TRP B 211           
SHEET    1 AA6 2 PHE B 263  ASP B 269  0                                        
SHEET    2 AA6 2 ILE B 274  TYR B 280 -1  O  TYR B 280   N  PHE B 263           
SSBOND   1 CYS A  250    CYS A  300                          1555   1555  2.04  
SSBOND   2 CYS A  259    CYS A  283                          1555   1555  2.05  
SSBOND   3 CYS A  275    CYS A  296                          1555   1555  2.07  
SSBOND   4 CYS B  250    CYS B  300                          1555   1555  2.04  
SSBOND   5 CYS B  259    CYS B  283                          1555   1555  2.04  
SSBOND   6 CYS B  275    CYS B  296                          1555   1555  2.06  
LINK         OE1 GLU A 294                 K     K A 401     1555   1555  3.09  
LINK         OE1 GLU B 294                 K     K B 403     1555   1555  3.11  
LINK         K     K A 401                 O   HOH A 512     1555   1555  3.13  
LINK         K     K A 401                 O   HOH A 524     1555   1555  2.83  
LINK         K     K B 403                 O   HOH B 525     1555   1555  3.10  
LINK         K     K B 403                 O   HOH B 526     1555   1555  2.88  
LINK         K     K B 403                 O   HOH B 508     1555   1555  3.14  
SITE     1 AC1  3 GLU A 293  GLU A 294  HOH A 524                               
SITE     1 AC2  4 VAL A 256  GLY A 261  SER B 277  HOH B 510                    
SITE     1 AC3  4 SER A 277  VAL B 256  GLY B 261  HOH B 512                    
SITE     1 AC4  3 GLU B 293  GLU B 294  HOH B 526                               
CRYST1   57.650   75.140   75.260  90.00  90.00  90.00 P 21 21 21    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      0.017346  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.013308  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013287        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system