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Database: PDB
Entry: 4P0O
LinkDB: 4P0O
Original site: 4P0O 
HEADER    HYDROLASE INHIBITOR                     20-FEB-14   4P0O              
TITLE     CLEAVED SERPIN 42DA                                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SERINE PROTEASE INHIBITOR 4, ISOFORM B;                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 33-424;                                       
COMPND   5 SYNONYM: SERPIN 4;                                                   
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
SOURCE   3 ORGANISM_COMMON: FRUIT FLY;                                          
SOURCE   4 ORGANISM_TAXID: 7227;                                                
SOURCE   5 GENE: SPN42DA, SP4, SPN4, CG9453, DMEL_CG9453;                       
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    SERPIN 4, SERPIN 42DA, SERINE PROTEASE INHIBTIOR, NEUROSERPIN,        
KEYWDS   2 HYDROLASE INHIBITOR                                                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.M.ELLISDON,J.C.WHISSTOCK                                            
REVDAT   2   21-MAY-14 4P0O    1       REMARK                                   
REVDAT   1   07-MAY-14 4P0O    0                                                
JRNL        AUTH   A.M.ELLISDON,Q.ZHANG,M.A.HENSTRIDGE,T.K.JOHNSON,C.G.WARR,    
JRNL        AUTH 2 R.H.LAW,J.C.WHISSTOCK                                        
JRNL        TITL   HIGH RESOLUTION STRUCTURE OF CLEAVED SERPIN 42 DA FROM       
JRNL        TITL 2 DROSOPHILA MELANOGASTER.                                     
JRNL        REF    BMC STRUCT.BIOL.              V.  14    14 2014              
JRNL        REFN                   ESSN 1472-6807                               
JRNL        PMID   24758516                                                     
JRNL        DOI    10.1186/1472-6807-14-14                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: DEV_1593)                     
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) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 37.06                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 62323                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.166                           
REMARK   3   R VALUE            (WORKING SET) : 0.165                           
REMARK   3   FREE R VALUE                     : 0.185                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.030                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3137                            
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 37.0650 -  5.0396    1.00     2856   166  0.1688 0.1984        
REMARK   3     2  5.0396 -  4.0016    1.00     2784   135  0.1264 0.1316        
REMARK   3     3  4.0016 -  3.4962    1.00     2743   134  0.1305 0.1600        
REMARK   3     4  3.4962 -  3.1768    1.00     2723   139  0.1568 0.1780        
REMARK   3     5  3.1768 -  2.9492    1.00     2738   147  0.1637 0.1795        
REMARK   3     6  2.9492 -  2.7754    1.00     2714   132  0.1683 0.2300        
REMARK   3     7  2.7754 -  2.6364    1.00     2683   164  0.1658 0.1565        
REMARK   3     8  2.6364 -  2.5217    1.00     2700   145  0.1669 0.1886        
REMARK   3     9  2.5217 -  2.4246    1.00     2657   162  0.1673 0.1970        
REMARK   3    10  2.4246 -  2.3410    1.00     2675   159  0.1657 0.1919        
REMARK   3    11  2.3410 -  2.2678    1.00     2694   129  0.1597 0.1755        
REMARK   3    12  2.2678 -  2.2030    1.00     2682   141  0.1653 0.1998        
REMARK   3    13  2.2030 -  2.1450    0.99     2700   137  0.1697 0.1829        
REMARK   3    14  2.1450 -  2.0926    0.99     2659   133  0.1825 0.1910        
REMARK   3    15  2.0926 -  2.0451    0.99     2673   155  0.1859 0.1920        
REMARK   3    16  2.0451 -  2.0016    0.99     2630   144  0.1914 0.2270        
REMARK   3    17  2.0016 -  1.9615    0.99     2650   151  0.2003 0.2038        
REMARK   3    18  1.9615 -  1.9245    0.99     2653   133  0.2095 0.2005        
REMARK   3    19  1.9245 -  1.8901    0.99     2663   135  0.2278 0.2714        
REMARK   3    20  1.8901 -  1.8581    0.99     2645   129  0.2542 0.2525        
REMARK   3    21  1.8581 -  1.8281    0.98     2639   139  0.2844 0.3028        
REMARK   3    22  1.8281 -  1.8000    0.98     2625   128  0.2960 0.3003        
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)     : 0.180            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.140           
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           3007                                  
REMARK   3   ANGLE     :  1.085           4067                                  
REMARK   3   CHIRALITY :  0.043            458                                  
REMARK   3   PLANARITY :  0.005            528                                  
REMARK   3   DIHEDRAL  : 15.374           1116                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 10                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN A AND (RESID 5:27)                               
REMARK   3    ORIGIN FOR THE GROUP (A): -39.9893  -8.2324 -17.7184              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1793 T22:   0.1377                                     
REMARK   3      T33:   0.2460 T12:  -0.0071                                     
REMARK   3      T13:  -0.0150 T23:  -0.0033                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8160 L22:   3.5320                                     
REMARK   3      L33:   1.9162 L12:  -0.3194                                     
REMARK   3      L13:   0.3317 L23:  -2.0063                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0303 S12:   0.0004 S13:   0.1763                       
REMARK   3      S21:  -0.0744 S22:   0.1313 S23:   0.0990                       
REMARK   3      S31:  -0.2303 S32:   0.0033 S33:  -0.0157                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN A AND (RESID 28:85)                              
REMARK   3    ORIGIN FOR THE GROUP (A): -30.6757 -11.2158 -13.5340              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1801 T22:   0.1776                                     
REMARK   3      T33:   0.1511 T12:   0.0169                                     
REMARK   3      T13:   0.0118 T23:  -0.0491                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2237 L22:   2.3989                                     
REMARK   3      L33:   0.7302 L12:   0.9961                                     
REMARK   3      L13:  -0.2182 L23:  -0.4752                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0363 S12:  -0.1466 S13:   0.1775                       
REMARK   3      S21:   0.0730 S22:  -0.0011 S23:  -0.0611                       
REMARK   3      S31:   0.0366 S32:   0.1714 S33:   0.0386                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN A AND (RESID 86:114)                             
REMARK   3    ORIGIN FOR THE GROUP (A): -23.1241 -21.6375  -8.2308              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2637 T22:   0.2595                                     
REMARK   3      T33:   0.1669 T12:   0.0922                                     
REMARK   3      T13:  -0.0186 T23:   0.0086                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.4294 L22:   1.6394                                     
REMARK   3      L33:   2.6467 L12:   0.5524                                     
REMARK   3      L13:  -1.4436 L23:   0.0676                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1043 S12:  -0.4018 S13:  -0.0335                       
REMARK   3      S21:   0.1817 S22:   0.0354 S23:  -0.2384                       
REMARK   3      S31:   0.2062 S32:   0.3805 S33:   0.0515                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN A AND (RESID 115:159)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -24.4946 -29.1342 -19.1388              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3397 T22:   0.2184                                     
REMARK   3      T33:   0.2041 T12:   0.0875                                     
REMARK   3      T13:   0.0502 T23:  -0.0166                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7191 L22:   1.4347                                     
REMARK   3      L33:   2.4204 L12:  -0.5547                                     
REMARK   3      L13:  -0.7945 L23:   0.3715                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0347 S12:   0.1133 S13:  -0.2913                       
REMARK   3      S21:  -0.1232 S22:  -0.0169 S23:  -0.1961                       
REMARK   3      S31:   0.4206 S32:   0.2958 S33:   0.0489                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN A AND (RESID 160:194)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -50.2555 -25.4788 -21.4803              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2985 T22:   0.1191                                     
REMARK   3      T33:   0.1941 T12:  -0.0697                                     
REMARK   3      T13:  -0.0233 T23:  -0.0271                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9410 L22:   0.8862                                     
REMARK   3      L33:   1.4509 L12:  -0.1034                                     
REMARK   3      L13:   0.2495 L23:  -0.1315                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0059 S12:  -0.1038 S13:  -0.1311                       
REMARK   3      S21:  -0.1910 S22:   0.0541 S23:   0.2049                       
REMARK   3      S31:   0.3282 S32:  -0.2540 S33:  -0.0429                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN A AND (RESID 195:215)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -62.1046 -18.2136 -20.3263              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1417 T22:   0.2411                                     
REMARK   3      T33:   0.2379 T12:  -0.0899                                     
REMARK   3      T13:  -0.0538 T23:   0.0302                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4443 L22:   3.0542                                     
REMARK   3      L33:   3.0166 L12:  -0.1093                                     
REMARK   3      L13:   0.3023 L23:  -0.0375                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0448 S12:  -0.0784 S13:  -0.1030                       
REMARK   3      S21:   0.0204 S22:   0.0705 S23:   0.2398                       
REMARK   3      S31:   0.2473 S32:  -0.2907 S33:  -0.0922                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN A AND (RESID 216:261)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -53.9610 -11.2260 -18.8754              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1604 T22:   0.1769                                     
REMARK   3      T33:   0.1668 T12:  -0.0338                                     
REMARK   3      T13:  -0.0182 T23:  -0.0053                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6174 L22:   3.1432                                     
REMARK   3      L33:   3.7829 L12:   0.1469                                     
REMARK   3      L13:   0.5930 L23:  -0.8719                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0590 S12:   0.0039 S13:   0.1364                       
REMARK   3      S21:  -0.2011 S22:   0.0059 S23:   0.2317                       
REMARK   3      S31:  -0.0047 S32:  -0.0995 S33:   0.0613                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN A AND (RESID 262:280)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -53.7553 -21.4817 -21.3538              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2838 T22:   0.2042                                     
REMARK   3      T33:   0.1339 T12:  -0.0239                                     
REMARK   3      T13:  -0.0491 T23:   0.0432                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1748 L22:   1.9535                                     
REMARK   3      L33:   0.7808 L12:   0.9250                                     
REMARK   3      L13:   0.2458 L23:   0.2789                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1506 S12:   0.3118 S13:  -0.2040                       
REMARK   3      S21:  -0.1450 S22:   0.0456 S23:   0.2176                       
REMARK   3      S31:   0.2582 S32:  -0.3273 S33:   0.1405                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN A AND (RESID 281:340)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -27.0725 -16.4392 -21.7787              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2452 T22:   0.2324                                     
REMARK   3      T33:   0.1882 T12:   0.0202                                     
REMARK   3      T13:   0.0453 T23:  -0.0306                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1469 L22:   1.1658                                     
REMARK   3      L33:   1.0363 L12:   0.4480                                     
REMARK   3      L13:   0.2765 L23:   0.0886                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0356 S12:   0.1404 S13:  -0.0662                       
REMARK   3      S21:  -0.1549 S22:   0.0359 S23:  -0.2626                       
REMARK   3      S31:   0.1137 S32:   0.2498 S33:   0.0197                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN A AND (RESID 341:381)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -52.2538 -17.5425 -21.2291              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2238 T22:   0.1858                                     
REMARK   3      T33:   0.1677 T12:  -0.0402                                     
REMARK   3      T13:  -0.0267 T23:  -0.0048                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4254 L22:   2.0033                                     
REMARK   3      L33:   1.0840 L12:   0.4933                                     
REMARK   3      L13:   1.6185 L23:   0.0214                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0121 S12:   0.0196 S13:  -0.1919                       
REMARK   3      S21:  -0.1443 S22:   0.0659 S23:   0.2010                       
REMARK   3      S31:   0.1484 S32:  -0.2418 S33:  -0.0730                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4P0O COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-FEB-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000200337.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 03-MAY-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : AUSTRALIAN SYNCHROTRON             
REMARK 200  BEAMLINE                       : MX2                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0332                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 62423                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY                : 6.400                              
REMARK 200  R MERGE                    (I) : 0.12800                            
REMARK 200  R SYM                      (I) : 0.12800                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 7.3000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.90                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 6.10                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.93500                            
REMARK 200  R SYM FOR SHELL            (I) : 0.93500                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.500                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 67.61                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.80                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M AMMONIUM PHOSPHATE MONOBASIC, 20    
REMARK 280  % (W/V) PEG3350                                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-Z+1/2                                     
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        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       43.61000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       54.88500            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       70.29000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       43.61000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       54.88500            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       70.29000            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       43.61000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       54.88500            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       70.29000            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       43.61000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       54.88500            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       70.29000            
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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A 481  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 484  LIES ON A SPECIAL POSITION.                          
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     MET A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     ASP A     3                                                      
REMARK 465     ARG A   342                                                      
REMARK 465     ALA A   343                                                      
REMARK 465     ILE A   344                                                      
REMARK 465     MET A   345                                                      
REMARK 465     SER A   346                                                      
REMARK 465     PRO A   347                                                      
REMARK 465     GLU A   348                                                      
REMARK 465     ASN A   382                                                      
REMARK 465     THR A   383                                                      
REMARK 465     PHE A   384                                                      
REMARK 465     ALA A   385                                                      
REMARK 465     SER A   386                                                      
REMARK 465     SER A   387                                                      
REMARK 465     GLU A   388                                                      
REMARK 465     HIS A   389                                                      
REMARK 465     ASP A   390                                                      
REMARK 465     GLU A   391                                                      
REMARK 465     LEU A   392                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   NE2  GLN A   259     O    HOH A   401              1.81            
REMARK 500   O    HOH A   703     O    HOH A   706              1.88            
REMARK 500   O    HOH A   762     O    HOH A   771              1.93            
REMARK 500   O    HOH A   701     O    HOH A   715              1.93            
REMARK 500   NH1  ARG A   194     O    HOH A   402              1.96            
REMARK 500   O    HOH A   717     O    HOH A   740              1.96            
REMARK 500   O    HOH A   711     O    HOH A   722              2.01            
REMARK 500   O    HOH A   739     O    HOH A   768              2.02            
REMARK 500   O    HOH A   690     O    HOH A   737              2.12            
REMARK 500   O    HOH A   560     O    HOH A   732              2.12            
REMARK 500   O    HOH A   697     O    HOH A   698              2.13            
REMARK 500   O    HOH A   642     O    HOH A   695              2.14            
REMARK 500   O    HOH A   708     O    HOH A   723              2.16            
REMARK 500   O    ALA A    83     O    HOH A   403              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   CB   ALA A     4     NE2  GLN A     7     3455     2.03            
REMARK 500   O    HOH A   471     O    HOH A   476     3455     2.09            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    ASN A  53     -138.68     55.21                                   
REMARK 500    ASP A 191     -165.85   -166.03                                   
REMARK 500    MET A 290       67.15   -109.65                                   
REMARK 500    LYS A 367       -4.37     65.38                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  4P0O A    1   392  UNP    Q7K8Y5   Q7K8Y5_DROME    33    424             
SEQADV 4P0O MET A    0  UNP  Q7K8Y5              INITIATING METHIONINE          
SEQRES   1 A  393  MET MET ALA ASP ALA ALA HIS GLN GLU PHE ALA ARG ARG          
SEQRES   2 A  393  LEU ALA LEU PHE SER ILE ASN VAL TYR GLY LYS LEU SER          
SEQRES   3 A  393  GLY GLN LYS PRO GLY GLU ASN ILE VAL PHE SER PRO PHE          
SEQRES   4 A  393  SER ILE GLN THR CYS ALA ALA MET ALA ARG LEU GLY ALA          
SEQRES   5 A  393  GLU ASN GLU THR ALA THR GLN LEU ASP GLN GLY LEU GLY          
SEQRES   6 A  393  LEU ALA SER SER ASP PRO GLU GLN ILE ALA HIS SER PHE          
SEQRES   7 A  393  HIS GLN VAL LEU ALA ALA TYR GLN ASP SER GLN ILE LEU          
SEQRES   8 A  393  ARG ILE ALA ASN LYS ILE PHE VAL MET ASP GLY TYR GLN          
SEQRES   9 A  393  LEU ARG GLN GLU PHE ASP GLN LEU LEU SER LYS GLN PHE          
SEQRES  10 A  393  LEU SER ALA ALA GLN SER VAL ASP PHE SER LYS ASN VAL          
SEQRES  11 A  393  GLN ALA ALA ALA THR ILE ASN ASN TRP VAL GLU GLN ARG          
SEQRES  12 A  393  THR ASN HIS LEU ILE LYS ASP LEU VAL PRO ALA ASP VAL          
SEQRES  13 A  393  LEU ASN SER GLU SER ARG LEU VAL LEU VAL ASN ALA ILE          
SEQRES  14 A  393  HIS PHE LYS GLY THR TRP GLN HIS GLN PHE ALA LYS HIS          
SEQRES  15 A  393  LEU THR ARG PRO ASP THR PHE HIS LEU ASP GLY GLU ARG          
SEQRES  16 A  393  THR VAL GLN VAL PRO MET MET SER LEU LYS GLU ARG PHE          
SEQRES  17 A  393  ARG TYR ALA ASP LEU PRO ALA LEU ASP ALA MET ALA LEU          
SEQRES  18 A  393  GLU LEU PRO TYR LYS ASP SER ASP LEU SER MET LEU ILE          
SEQRES  19 A  393  VAL LEU PRO ASN THR LYS THR GLY LEU PRO ALA LEU GLU          
SEQRES  20 A  393  GLU LYS LEU ARG LEU THR THR LEU SER GLN ILE THR GLN          
SEQRES  21 A  393  SER LEU TYR GLU THR LYS VAL ALA LEU LYS LEU PRO ARG          
SEQRES  22 A  393  PHE LYS ALA GLU PHE GLN VAL GLU LEU SER GLU VAL PHE          
SEQRES  23 A  393  GLN LYS LEU GLY MET SER ARG MET PHE SER ASP GLN ALA          
SEQRES  24 A  393  GLU PHE GLY LYS MET LEU GLN SER PRO GLU PRO LEU LYS          
SEQRES  25 A  393  VAL SER ALA ILE ILE HIS LYS ALA PHE ILE GLU VAL ASN          
SEQRES  26 A  393  GLU GLU GLY THR GLU ALA ALA ALA ALA THR GLY MET ALA          
SEQRES  27 A  393  VAL ARG ARG LYS ARG ALA ILE MET SER PRO GLU GLU PRO          
SEQRES  28 A  393  ILE GLU PHE PHE ALA ASP HIS PRO PHE THR TYR VAL LEU          
SEQRES  29 A  393  VAL HIS GLN LYS ASP LEU PRO LEU PHE TRP GLY SER VAL          
SEQRES  30 A  393  VAL ARG LEU GLU GLU ASN THR PHE ALA SER SER GLU HIS          
SEQRES  31 A  393  ASP GLU LEU                                                  
FORMUL   2  HOH   *377(H2 O)                                                    
HELIX    1 AA1 ALA A    4  LYS A   28  1                                  25    
HELIX    2 AA2 SER A   36  LEU A   49  1                                  14    
HELIX    3 AA3 GLU A   52  GLY A   64  1                                  13    
HELIX    4 AA4 ASP A   69  ASP A   86  1                                  18    
HELIX    5 AA5 ARG A  105  GLN A  115  1                                  11    
HELIX    6 AA6 LYS A  127  THR A  143  1                                  17    
HELIX    7 AA7 PRO A  152  LEU A  156  5                                   5    
HELIX    8 AA8 ALA A  179  THR A  183  5                                   5    
HELIX    9 AA9 PRO A  213  LEU A  215  5                                   3    
HELIX   10 AB1 GLY A  241  LEU A  249  1                                   9    
HELIX   11 AB2 ARG A  250  THR A  252  5                                   3    
HELIX   12 AB3 THR A  253  SER A  260  1                                   8    
HELIX   13 AB4 LEU A  281  LEU A  288  1                                   8    
HELIX   14 AB5 SER A  291  SER A  295  5                                   5    
SHEET    1 AA1 7 VAL A  34  PHE A  35  0                                        
SHEET    2 AA1 7 LEU A 369  VAL A 376 -1  O  TRP A 373   N  PHE A  35           
SHEET    3 AA1 7 PHE A 359  HIS A 365 -1  N  LEU A 363   O  LEU A 371           
SHEET    4 AA1 7 LEU A 229  PRO A 236 -1  N  LEU A 232   O  VAL A 362           
SHEET    5 AA1 7 ALA A 217  PRO A 223 -1  N  LEU A 220   O  ILE A 233           
SHEET    6 AA1 7 THR A 195  LEU A 212 -1  N  ALA A 210   O  ALA A 219           
SHEET    7 AA1 7 ARG A 184  HIS A 189 -1  N  ARG A 184   O  MET A 200           
SHEET    1 AA2 8 VAL A  34  PHE A  35  0                                        
SHEET    2 AA2 8 LEU A 369  VAL A 376 -1  O  TRP A 373   N  PHE A  35           
SHEET    3 AA2 8 PHE A 359  HIS A 365 -1  N  LEU A 363   O  LEU A 371           
SHEET    4 AA2 8 LEU A 229  PRO A 236 -1  N  LEU A 232   O  VAL A 362           
SHEET    5 AA2 8 ALA A 217  PRO A 223 -1  N  LEU A 220   O  ILE A 233           
SHEET    6 AA2 8 THR A 195  LEU A 212 -1  N  ALA A 210   O  ALA A 219           
SHEET    7 AA2 8 TYR A 262  PRO A 271 -1  O  LEU A 268   N  LEU A 203           
SHEET    8 AA2 8 ILE A 351  PHE A 354  1  O  ILE A 351   N  ALA A 267           
SHEET    1 AA3 6 ALA A 119  VAL A 123  0                                        
SHEET    2 AA3 6 LEU A  90  MET A  99  1  N  VAL A  98   O  VAL A 123           
SHEET    3 AA3 6 SER A 160  THR A 173 -1  O  ALA A 167   N  ALA A  93           
SHEET    4 AA3 6 GLY A 327  ARG A 340 -1  O  VAL A 338   N  ARG A 161           
SHEET    5 AA3 6 LEU A 310  VAL A 323 -1  N  ILE A 316   O  GLY A 335           
SHEET    6 AA3 6 PHE A 273  GLU A 280 -1  N  PHE A 273   O  VAL A 323           
CRYST1   87.220  109.770  140.580  90.00  90.00  90.00 I 2 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      0.011465  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.009110  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007113        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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