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Database: PDB
Entry: 4D8D
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HEADER    TRANSFERASE/PROTEIN BINDING             10-JAN-12   4D8D              
TITLE     CRYSTAL STRUCTURE OF HIV-1 NEF FYN-SH3 R96W VARIANT                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE FYN;                               
COMPND   3 CHAIN: A, C;                                                         
COMPND   4 FRAGMENT: SRC-HOMOLOGY 3 DOMAIN (UNP RESIDUES 84-141);               
COMPND   5 SYNONYM: PROTO-ONCOGENE SYN, PROTO-ONCOGENE C-FYN, SRC-LIKE KINASE,  
COMPND   6 SLK, P59-FYN;                                                        
COMPND   7 EC: 2.7.10.2;                                                        
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MUTATION: YES;                                                       
COMPND  10 MOL_ID: 2;                                                           
COMPND  11 MOLECULE: PROTEIN NEF;                                               
COMPND  12 CHAIN: B, D;                                                         
COMPND  13 FRAGMENT: CONSERVED CORE DOMAIN (UNP RESIDUES 58-204);               
COMPND  14 SYNONYM: 3'ORF, NEGATIVE FACTOR, F-PROTEIN, C-TERMINAL CORE PROTEIN; 
COMPND  15 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: FYN, FYN TYROSINE KINASE;                                      
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX-2T;                              
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;            
SOURCE  12 ORGANISM_COMMON: HIV-1;                                              
SOURCE  13 ORGANISM_TAXID: 11686;                                               
SOURCE  14 STRAIN: LAI-BRU ISOLATE;                                             
SOURCE  15 GENE: NEF;                                                           
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX-2T                               
KEYWDS    SIGNALING MOLECULES, TRANSFERASE-PROTEIN BINDING COMPLEX              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.T.AROLD,F.HOH,C.DUMAS                                               
REVDAT   2   24-JAN-18 4D8D    1       JRNL                                     
REVDAT   1   16-JAN-13 4D8D    0                                                
JRNL        AUTH   A.LUGANI,C.C.LIN,X.SHI,F.HOH,L.PONCHON,C.KTORI,C.DUMAS,      
JRNL        AUTH 2 J.E.LADBURY,Y.COLLETTE,X.MORELLI,S.T.AROLD                   
JRNL        TITL   SH3 DOMAIN SPECIFICITY                                       
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   S.AROLD,P.FRANKEN,M.P.STRUB,F.HOH,S.BENICHOU,R.BENAROUS,     
REMARK   1  AUTH 2 C.DUMAS                                                      
REMARK   1  TITL   THE CRYSTAL STRUCTURE OF HIV-1 NEF PROTEIN BOUND TO THE FYN  
REMARK   1  TITL 2 KINASE SH3 DOMAIN SUGGESTS A ROLE FOR THIS COMPLEX IN        
REMARK   1  TITL 3 ALTERED T CELL RECEPTOR SIGNALING.                           
REMARK   1  REF    STRUCTURE                     V.   5  1361 1997              
REMARK   1  REFN                   ISSN 0969-2126                               
REMARK   1  PMID   9351809                                                      
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   C.H.LEE,K.SAKSELA,U.A.MIRZA,B.T.CHAIT,J.KURIYAN              
REMARK   1  TITL   CRYSTAL STRUCTURE OF THE CONSERVED CORE OF HIV-1 NEF         
REMARK   1  TITL 2 COMPLEXED WITH A SRC FAMILY SH3 DOMAIN.                      
REMARK   1  REF    CELL(CAMBRIDGE,MASS.)         V.  85   931 1996              
REMARK   1  REFN                   ISSN 0092-8674                               
REMARK   1  PMID   8681387                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.52 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.7.3_928                                     
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) : 2.52                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 52.51                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.400                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 26778                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.214                           
REMARK   3   R VALUE            (WORKING SET) : 0.212                           
REMARK   3   FREE R VALUE                     : 0.238                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.040                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1350                            
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 52.5244 -  5.4276    0.99     2773   151  0.2315 0.2268        
REMARK   3     2  5.4276 -  4.3087    1.00     2630   141  0.1753 0.1923        
REMARK   3     3  4.3087 -  3.7642    1.00     2558   156  0.1859 0.2265        
REMARK   3     4  3.7642 -  3.4201    1.00     2577   120  0.1992 0.2434        
REMARK   3     5  3.4201 -  3.1750    1.00     2536   125  0.2154 0.2636        
REMARK   3     6  3.1750 -  2.9878    0.99     2505   125  0.2177 0.2658        
REMARK   3     7  2.9878 -  2.8382    0.99     2449   157  0.2242 0.2872        
REMARK   3     8  2.8382 -  2.7147    0.99     2483   133  0.2593 0.2893        
REMARK   3     9  2.7147 -  2.6102    0.99     2510   132  0.2825 0.3421        
REMARK   3    10  2.6102 -  2.5201    0.96     2407   110  0.3377 0.3414        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.00                                          
REMARK   3   SHRINKAGE RADIUS   : 0.73                                          
REMARK   3   K_SOL              : 0.35                                          
REMARK   3   B_SOL              : 68.42                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.370            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.500           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 73.99                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 83.29                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -6.13910                                             
REMARK   3    B22 (A**2) : -6.13910                                             
REMARK   3    B33 (A**2) : 12.27820                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  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      :  0.007           2830                                  
REMARK   3   ANGLE     :  0.977           3860                                  
REMARK   3   CHIRALITY :  0.070            391                                  
REMARK   3   PLANARITY :  0.005            490                                  
REMARK   3   DIHEDRAL  : 13.947           1000                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 18                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 85:94)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  13.6345  28.6008  57.3543              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8715 T22:   0.9618                                     
REMARK   3      T33:   0.8262 T12:   0.3791                                     
REMARK   3      T13:   0.2920 T23:   0.3670                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7194 L22:   1.3958                                     
REMARK   3      L33:   2.5747 L12:  -0.5358                                     
REMARK   3      L13:   2.8642 L23:  -0.1362                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4312 S12:  -1.9038 S13:  -0.7757                       
REMARK   3      S21:   0.8378 S22:   0.2993 S23:   0.2364                       
REMARK   3      S31:  -0.1309 S32:  -0.5111 S33:   0.1392                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 95:113)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.6009  34.4546  53.2890              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6714 T22:   0.9895                                     
REMARK   3      T33:   0.8820 T12:   0.2489                                     
REMARK   3      T13:   0.2251 T23:   0.2353                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6123 L22:   7.4266                                     
REMARK   3      L33:   7.1606 L12:   3.2491                                     
REMARK   3      L13:   1.0476 L23:   1.2014                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.9136 S12:  -1.1768 S13:   0.9126                       
REMARK   3      S21:   0.6865 S22:   0.3909 S23:   1.1122                       
REMARK   3      S31:  -0.5725 S32:  -1.2815 S33:   0.4792                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 114:129)                         
REMARK   3    ORIGIN FOR THE GROUP (A):   8.9702  31.6789  49.3837              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7280 T22:   1.0134                                     
REMARK   3      T33:   1.0696 T12:   0.1299                                     
REMARK   3      T13:   0.2843 T23:   0.2236                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.3597 L22:   4.3862                                     
REMARK   3      L33:   9.8077 L12:  -4.4464                                     
REMARK   3      L13:  -1.6284 L23:   3.8996                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4124 S12:   0.5338 S13:  -0.0826                       
REMARK   3      S21:  -0.4127 S22:  -1.0175 S23:   0.6959                       
REMARK   3      S31:  -0.7889 S32:  -1.1086 S33:   0.4488                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 130:141)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  12.7163  27.7121  52.6363              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6907 T22:   0.9635                                     
REMARK   3      T33:   0.7510 T12:   0.1720                                     
REMARK   3      T13:   0.2175 T23:   0.3083                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0665 L22:   2.6896                                     
REMARK   3      L33:   2.2525 L12:  -1.1682                                     
REMARK   3      L13:  -0.6255 L23:   2.4391                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0819 S12:  -0.9063 S13:  -0.1468                       
REMARK   3      S21:  -0.0302 S22:  -0.6561 S23:   0.5831                       
REMARK   3      S31:   0.7859 S32:   0.4047 S33:   0.6681                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 69:103)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  27.9377  39.2824  44.9893              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5920 T22:   0.4369                                     
REMARK   3      T33:   0.5671 T12:   0.1575                                     
REMARK   3      T13:  -0.1001 T23:   0.1463                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.2853 L22:   2.4220                                     
REMARK   3      L33:   5.1575 L12:  -1.0737                                     
REMARK   3      L13:   0.9514 L23:  -1.2196                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4995 S12:  -0.8915 S13:   0.0938                       
REMARK   3      S21:   0.8032 S22:   0.1491 S23:  -1.1150                       
REMARK   3      S31:  -0.3855 S32:  -0.5405 S33:   0.2266                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 104:118)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  34.4250  33.2029  46.1702              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5742 T22:   0.4783                                     
REMARK   3      T33:   0.6648 T12:   0.1311                                     
REMARK   3      T13:  -0.0666 T23:   0.0720                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0411 L22:   6.0546                                     
REMARK   3      L33:   3.2334 L12:   2.6774                                     
REMARK   3      L13:  -1.1161 L23:  -0.2235                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5584 S12:  -0.6232 S13:   0.5621                       
REMARK   3      S21:   0.5164 S22:   0.2399 S23:  -0.7852                       
REMARK   3      S31:  -0.3594 S32:   0.2122 S33:   0.5152                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 119:147)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  34.3620  40.0440  35.0611              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5414 T22:   0.4561                                     
REMARK   3      T33:   1.0659 T12:   0.2107                                     
REMARK   3      T13:   0.2520 T23:   0.5794                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7360 L22:   3.8811                                     
REMARK   3      L33:   1.6701 L12:  -0.8962                                     
REMARK   3      L13:   0.1412 L23:  -0.9473                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0746 S12:   0.2869 S13:   0.3517                       
REMARK   3      S21:  -0.3084 S22:  -0.5541 S23:  -1.6464                       
REMARK   3      S31:   0.0291 S32:   0.6817 S33:   0.3736                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 148:190)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  37.5404  48.2146  37.4739              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5710 T22:   0.6068                                     
REMARK   3      T33:   1.4331 T12:  -0.0497                                     
REMARK   3      T13:  -0.0892 T23:   0.3408                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.6260 L22:   0.3251                                     
REMARK   3      L33:   2.6699 L12:  -1.4916                                     
REMARK   3      L13:   2.0927 L23:  -0.1408                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3337 S12:   0.5353 S13:   1.3711                       
REMARK   3      S21:   0.1527 S22:  -0.5953 S23:  -1.7021                       
REMARK   3      S31:  -0.5959 S32:   1.0161 S33:   0.8612                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 191:204)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  31.8731  41.0553  24.2150              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8788 T22:   0.5343                                     
REMARK   3      T33:   0.7084 T12:   0.5730                                     
REMARK   3      T13:   0.3235 T23:   0.4385                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7548 L22:   4.5284                                     
REMARK   3      L33:   2.3551 L12:   0.2308                                     
REMARK   3      L13:   0.5952 L23:  -1.8751                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1728 S12:   0.1124 S13:  -0.4653                       
REMARK   3      S21:  -0.3694 S22:  -0.0913 S23:   0.0101                       
REMARK   3      S31:   1.2337 S32:   0.8449 S33:   0.3254                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 84:94)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  36.7217  14.3331  66.1844              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5751 T22:   0.6441                                     
REMARK   3      T33:   0.4017 T12:   0.2744                                     
REMARK   3      T13:   0.2835 T23:   0.1199                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.6185 L22:   7.8245                                     
REMARK   3      L33:   3.7189 L12:  -4.7084                                     
REMARK   3      L13:  -4.8863 L23:   0.4393                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1803 S12:  -0.3699 S13:   0.3702                       
REMARK   3      S21:   0.1864 S22:   0.1601 S23:   0.1884                       
REMARK   3      S31:  -0.4126 S32:  -1.6028 S33:   0.1170                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 95:113)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  41.1851  10.9553  61.8764              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7584 T22:   0.3510                                     
REMARK   3      T33:   0.4351 T12:   0.0535                                     
REMARK   3      T13:   0.1947 T23:   0.0482                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.2803 L22:   4.8654                                     
REMARK   3      L33:   7.5096 L12:   0.6992                                     
REMARK   3      L13:   3.9702 L23:   0.0162                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1352 S12:   0.4128 S13:   0.0735                       
REMARK   3      S21:  -0.7279 S22:  -0.2245 S23:   0.2035                       
REMARK   3      S31:   0.8034 S32:  -0.1414 S33:   0.0507                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 114:129)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  45.7479  14.2755  64.4086              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7766 T22:   0.5028                                     
REMARK   3      T33:   0.4736 T12:   0.0349                                     
REMARK   3      T13:   0.2180 T23:   0.0289                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6161 L22:   3.6066                                     
REMARK   3      L33:   6.7851 L12:  -2.6289                                     
REMARK   3      L13:   2.8967 L23:  -4.8254                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1852 S12:   0.3445 S13:   0.5894                       
REMARK   3      S21:  -0.6303 S22:  -0.7699 S23:  -1.2348                       
REMARK   3      S31:  -0.2187 S32:  -0.3593 S33:   0.5088                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 130:141)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  40.0297  16.9332  64.3806              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6703 T22:   0.4248                                     
REMARK   3      T33:   0.5161 T12:   0.0620                                     
REMARK   3      T13:   0.2199 T23:   0.0376                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9285 L22:   7.1295                                     
REMARK   3      L33:   4.3855 L12:  -4.1012                                     
REMARK   3      L13:   3.9567 L23:  -0.7332                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7877 S12:   0.4502 S13:   0.1769                       
REMARK   3      S21:  -0.1763 S22:  -0.5766 S23:  -0.5644                       
REMARK   3      S31:  -0.7442 S32:  -1.0370 S33:  -0.2306                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 70:94)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  41.8388  13.7961  47.7000              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6859 T22:   0.4145                                     
REMARK   3      T33:   0.5689 T12:   0.2337                                     
REMARK   3      T13:   0.2245 T23:   0.2239                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.7390 L22:   6.4829                                     
REMARK   3      L33:   6.7005 L12:  -2.4551                                     
REMARK   3      L13:  -1.6399 L23:   4.4156                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1614 S12:  -0.5810 S13:  -1.0836                       
REMARK   3      S21:   0.1831 S22:   0.3809 S23:   0.9740                       
REMARK   3      S31:  -0.2845 S32:  -0.5521 S33:  -0.0595                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 95:118)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  34.6073  17.4516  38.6828              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5702 T22:   0.3485                                     
REMARK   3      T33:   0.7256 T12:   0.1594                                     
REMARK   3      T13:   0.0159 T23:   0.0262                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.2433 L22:   4.1664                                     
REMARK   3      L33:   1.8091 L12:  -1.2832                                     
REMARK   3      L13:   2.6378 L23:  -0.8156                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4169 S12:   0.5158 S13:  -1.0901                       
REMARK   3      S21:   0.1294 S22:   0.0832 S23:   0.8943                       
REMARK   3      S31:   0.2852 S32:  -0.2608 S33:  -0.4189                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 119:147)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  45.1973  18.5839  34.5336              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9792 T22:   0.4793                                     
REMARK   3      T33:   0.3495 T12:   0.3054                                     
REMARK   3      T13:   0.1011 T23:   0.1191                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4078 L22:   1.1877                                     
REMARK   3      L33:   0.0456 L12:  -0.5615                                     
REMARK   3      L13:   0.2691 L23:  -0.2251                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3374 S12:   1.1148 S13:   0.2063                       
REMARK   3      S21:  -0.7647 S22:  -0.4364 S23:   0.3172                       
REMARK   3      S31:  -0.6993 S32:   0.0439 S33:  -0.0280                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 148:190)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  43.4143  11.3606  29.1744              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7151 T22:   0.7049                                     
REMARK   3      T33:   0.4585 T12:   0.3832                                     
REMARK   3      T13:   0.0063 T23:  -0.2367                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.7657 L22:   6.3992                                     
REMARK   3      L33:   2.1277 L12:  -2.6211                                     
REMARK   3      L13:   0.9283 L23:  -2.1313                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.9645 S12:   1.7477 S13:  -0.3420                       
REMARK   3      S21:  -0.8706 S22:  -0.7544 S23:   0.9550                       
REMARK   3      S31:   0.0459 S32:  -0.5542 S33:  -0.1166                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESSEQ 191:204)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  56.1251  21.4596  32.8642              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8938 T22:   0.7648                                     
REMARK   3      T33:   0.7651 T12:   0.2143                                     
REMARK   3      T13:   0.2284 T23:   0.3204                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.4226 L22:   6.2249                                     
REMARK   3      L33:   5.5498 L12:   0.4279                                     
REMARK   3      L13:   1.7140 L23:  -5.5921                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3760 S12:   1.7154 S13:   1.6301                       
REMARK   3      S21:  -1.2478 S22:  -0.4840 S23:  -0.9344                       
REMARK   3      S31:  -0.7623 S32:   0.5270 S33:   0.1482                       
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 4D8D COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JAN-12.                  
REMARK 100 THE DEPOSITION ID IS D_1000070010.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 27-APR-00                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 8.4                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : BM30A                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.98064                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : AREA DETECTOR                      
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 26791                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.520                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 58.510                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.1                               
REMARK 200  DATA REDUNDANCY                : 7.400                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.06700                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1AVZ                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 68.82                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.95                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.3 M SODIUM POTASSIUM TARTRATE, 0.5 M   
REMARK 280  BICINE BUFFER , 1CMC D-OCTYLGLUCOPYRANOSIDE, PH 8.4, VAPOR          
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/6                                            
REMARK 290       6555   X-Y,X,Z+5/6                                             
REMARK 290       7555   Y,X,-Z+2/3                                              
REMARK 290       8555   X-Y,-Y,-Z                                               
REMARK 290       9555   -X,-X+Y,-Z+1/3                                          
REMARK 290      10555   -Y,-X,-Z+1/6                                            
REMARK 290      11555   -X+Y,Y,-Z+1/2                                           
REMARK 290      12555   X,X-Y,-Z+5/6                                            
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000      149.97400            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       74.98700            
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      112.48050            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       37.49350            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000      187.46750            
REMARK 290   SMTRY1   7 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000      149.97400            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   9 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   9  0.000000  0.000000 -1.000000       74.98700            
REMARK 290   SMTRY1  10  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  10 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000       37.49350            
REMARK 290   SMTRY1  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000      112.48050            
REMARK 290   SMTRY1  12  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000      187.46750            
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1250 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9320 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1600 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9210 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D                                  
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 B 306  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     VAL A    84                                                      
REMARK 465     GLY B    56                                                      
REMARK 465     SER B    57                                                      
REMARK 465     LEU B    58                                                      
REMARK 465     GLU B    59                                                      
REMARK 465     ALA B    60                                                      
REMARK 465     GLN B    61                                                      
REMARK 465     GLU B    62                                                      
REMARK 465     GLU B    63                                                      
REMARK 465     GLU B    64                                                      
REMARK 465     GLU B    65                                                      
REMARK 465     VAL B    66                                                      
REMARK 465     GLY B    67                                                      
REMARK 465     PHE B    68                                                      
REMARK 465     GLU B   149                                                      
REMARK 465     PRO B   150                                                      
REMARK 465     ASP B   151                                                      
REMARK 465     LYS B   152                                                      
REMARK 465     VAL B   153                                                      
REMARK 465     GLU B   154                                                      
REMARK 465     GLU B   155                                                      
REMARK 465     ALA B   156                                                      
REMARK 465     ASN B   157                                                      
REMARK 465     LYS B   158                                                      
REMARK 465     GLY B   159                                                      
REMARK 465     GLU B   160                                                      
REMARK 465     ASN B   161                                                      
REMARK 465     THR B   162                                                      
REMARK 465     SER B   163                                                      
REMARK 465     LEU B   164                                                      
REMARK 465     LEU B   165                                                      
REMARK 465     HIS B   166                                                      
REMARK 465     PRO B   167                                                      
REMARK 465     VAL B   168                                                      
REMARK 465     SER B   169                                                      
REMARK 465     LEU B   170                                                      
REMARK 465     HIS B   171                                                      
REMARK 465     GLY B   172                                                      
REMARK 465     MET B   173                                                      
REMARK 465     ASP B   174                                                      
REMARK 465     ASP B   175                                                      
REMARK 465     PRO B   176                                                      
REMARK 465     GLU B   177                                                      
REMARK 465     ARG B   178                                                      
REMARK 465     ASN B   205                                                      
REMARK 465     CYS B   206                                                      
REMARK 465     GLY D    56                                                      
REMARK 465     SER D    57                                                      
REMARK 465     LEU D    58                                                      
REMARK 465     GLU D    59                                                      
REMARK 465     ALA D    60                                                      
REMARK 465     GLN D    61                                                      
REMARK 465     GLU D    62                                                      
REMARK 465     GLU D    63                                                      
REMARK 465     GLU D    64                                                      
REMARK 465     GLU D    65                                                      
REMARK 465     VAL D    66                                                      
REMARK 465     GLY D    67                                                      
REMARK 465     PHE D    68                                                      
REMARK 465     PRO D    69                                                      
REMARK 465     GLU D   149                                                      
REMARK 465     PRO D   150                                                      
REMARK 465     ASP D   151                                                      
REMARK 465     LYS D   152                                                      
REMARK 465     VAL D   153                                                      
REMARK 465     GLU D   154                                                      
REMARK 465     GLU D   155                                                      
REMARK 465     ALA D   156                                                      
REMARK 465     ASN D   157                                                      
REMARK 465     LYS D   158                                                      
REMARK 465     GLY D   159                                                      
REMARK 465     GLU D   160                                                      
REMARK 465     ASN D   161                                                      
REMARK 465     THR D   162                                                      
REMARK 465     SER D   163                                                      
REMARK 465     LEU D   164                                                      
REMARK 465     LEU D   165                                                      
REMARK 465     HIS D   166                                                      
REMARK 465     PRO D   167                                                      
REMARK 465     VAL D   168                                                      
REMARK 465     SER D   169                                                      
REMARK 465     LEU D   170                                                      
REMARK 465     HIS D   171                                                      
REMARK 465     GLY D   172                                                      
REMARK 465     MET D   173                                                      
REMARK 465     ASP D   174                                                      
REMARK 465     ASP D   175                                                      
REMARK 465     PRO D   176                                                      
REMARK 465     GLU D   177                                                      
REMARK 465     ARG D   178                                                      
REMARK 465     ASN D   205                                                      
REMARK 465     CYS D   206                                                      
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    GLN B 125       56.12   -100.21                                   
REMARK 500    GLU B 201        6.13    -67.25                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL C 201                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3H0F   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3H0I   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3H0H   RELATED DB: PDB                                   
DBREF  4D8D A   84   141  UNP    P06241   FYN_HUMAN       84    141             
DBREF  4D8D B   58   204  UNP    P03406   NEF_HV1BR       58    204             
DBREF  4D8D C   84   141  UNP    P06241   FYN_HUMAN       84    141             
DBREF  4D8D D   58   204  UNP    P03406   NEF_HV1BR       58    204             
SEQADV 4D8D TRP A   96  UNP  P06241    ARG    96 ENGINEERED MUTATION            
SEQADV 4D8D GLY B   56  UNP  P03406              EXPRESSION TAG                 
SEQADV 4D8D SER B   57  UNP  P03406              EXPRESSION TAG                 
SEQADV 4D8D TRP C   96  UNP  P06241    ARG    96 ENGINEERED MUTATION            
SEQADV 4D8D GLY D   56  UNP  P03406              EXPRESSION TAG                 
SEQADV 4D8D SER D   57  UNP  P03406              EXPRESSION TAG                 
SEQRES   1 A   58  VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU ALA TRP          
SEQRES   2 A   58  THR GLU ASP ASP LEU SER PHE HIS LYS GLY GLU LYS PHE          
SEQRES   3 A   58  GLN ILE LEU ASN SER SER GLU GLY ASP TRP TRP GLU ALA          
SEQRES   4 A   58  ARG SER LEU THR THR GLY GLU THR GLY TYR ILE PRO SER          
SEQRES   5 A   58  ASN TYR VAL ALA PRO VAL                                      
SEQRES   1 B  151  GLY SER LEU GLU ALA GLN GLU GLU GLU GLU VAL GLY PHE          
SEQRES   2 B  151  PRO VAL THR PRO GLN VAL PRO LEU ARG PRO MET THR TYR          
SEQRES   3 B  151  LYS ALA ALA VAL ASP LEU SER HIS PHE LEU LYS GLU LYS          
SEQRES   4 B  151  GLY GLY LEU GLU GLY LEU ILE HIS SER GLN ARG ARG GLN          
SEQRES   5 B  151  ASP ILE LEU ASP LEU TRP ILE TYR HIS THR GLN GLY TYR          
SEQRES   6 B  151  PHE PRO ASP TRP GLN ASN TYR THR PRO GLY PRO GLY VAL          
SEQRES   7 B  151  ARG TYR PRO LEU THR PHE GLY TRP CYS TYR LYS LEU VAL          
SEQRES   8 B  151  PRO VAL GLU PRO ASP LYS VAL GLU GLU ALA ASN LYS GLY          
SEQRES   9 B  151  GLU ASN THR SER LEU LEU HIS PRO VAL SER LEU HIS GLY          
SEQRES  10 B  151  MET ASP ASP PRO GLU ARG GLU VAL LEU GLU TRP ARG PHE          
SEQRES  11 B  151  ASP SER ARG LEU ALA PHE HIS HIS VAL ALA ARG GLU LEU          
SEQRES  12 B  151  HIS PRO GLU TYR PHE LYS ASN CYS                              
SEQRES   1 C   58  VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU ALA TRP          
SEQRES   2 C   58  THR GLU ASP ASP LEU SER PHE HIS LYS GLY GLU LYS PHE          
SEQRES   3 C   58  GLN ILE LEU ASN SER SER GLU GLY ASP TRP TRP GLU ALA          
SEQRES   4 C   58  ARG SER LEU THR THR GLY GLU THR GLY TYR ILE PRO SER          
SEQRES   5 C   58  ASN TYR VAL ALA PRO VAL                                      
SEQRES   1 D  151  GLY SER LEU GLU ALA GLN GLU GLU GLU GLU VAL GLY PHE          
SEQRES   2 D  151  PRO VAL THR PRO GLN VAL PRO LEU ARG PRO MET THR TYR          
SEQRES   3 D  151  LYS ALA ALA VAL ASP LEU SER HIS PHE LEU LYS GLU LYS          
SEQRES   4 D  151  GLY GLY LEU GLU GLY LEU ILE HIS SER GLN ARG ARG GLN          
SEQRES   5 D  151  ASP ILE LEU ASP LEU TRP ILE TYR HIS THR GLN GLY TYR          
SEQRES   6 D  151  PHE PRO ASP TRP GLN ASN TYR THR PRO GLY PRO GLY VAL          
SEQRES   7 D  151  ARG TYR PRO LEU THR PHE GLY TRP CYS TYR LYS LEU VAL          
SEQRES   8 D  151  PRO VAL GLU PRO ASP LYS VAL GLU GLU ALA ASN LYS GLY          
SEQRES   9 D  151  GLU ASN THR SER LEU LEU HIS PRO VAL SER LEU HIS GLY          
SEQRES  10 D  151  MET ASP ASP PRO GLU ARG GLU VAL LEU GLU TRP ARG PHE          
SEQRES  11 D  151  ASP SER ARG LEU ALA PHE HIS HIS VAL ALA ARG GLU LEU          
SEQRES  12 D  151  HIS PRO GLU TYR PHE LYS ASN CYS                              
HET    GOL  C 201       6                                                       
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   5  GOL    C3 H8 O3                                                     
FORMUL   6  HOH   *44(H2 O)                                                     
HELIX    1   1 THR B   80  GLY B   95  1                                  16    
HELIX    2   2 SER B  103  GLY B  119  1                                  17    
HELIX    3   3 SER B  187  PHE B  191  5                                   5    
HELIX    4   4 HIS B  193  HIS B  199  1                                   7    
HELIX    5   5 PRO B  200  PHE B  203  5                                   4    
HELIX    6   6 THR D   80  GLY D   95  1                                  16    
HELIX    7   7 SER D  103  GLY D  119  1                                  17    
HELIX    8   8 SER D  187  PHE D  191  5                                   5    
HELIX    9   9 HIS D  193  HIS D  199  1                                   7    
HELIX   10  10 PRO D  200  PHE D  203  5                                   4    
SHEET    1   A 5 THR A 130  PRO A 134  0                                        
SHEET    2   A 5 TRP A 119  SER A 124 -1  N  ALA A 122   O  GLY A 131           
SHEET    3   A 5 LYS A 108  ASN A 113 -1  N  LEU A 112   O  GLU A 121           
SHEET    4   A 5 LEU A  86  ALA A  89 -1  N  PHE A  87   O  PHE A 109           
SHEET    5   A 5 VAL A 138  PRO A 140 -1  O  ALA A 139   N  VAL A  88           
SHEET    1   B 2 TYR B 143  PRO B 147  0                                        
SHEET    2   B 2 LEU B 181  PHE B 185 -1  O  GLU B 182   N  VAL B 146           
SHEET    1   C 5 THR C 130  PRO C 134  0                                        
SHEET    2   C 5 TRP C 119  SER C 124 -1  N  ALA C 122   O  GLY C 131           
SHEET    3   C 5 LYS C 108  ASN C 113 -1  N  LEU C 112   O  GLU C 121           
SHEET    4   C 5 LEU C  86  ALA C  89 -1  N  PHE C  87   O  PHE C 109           
SHEET    5   C 5 VAL C 138  PRO C 140 -1  O  ALA C 139   N  VAL C  88           
SHEET    1   D 2 TYR D 143  PRO D 147  0                                        
SHEET    2   D 2 LEU D 181  PHE D 185 -1  O  GLU D 182   N  VAL D 146           
CISPEP   1 GLY B  130    PRO B  131          0         0.65                     
CISPEP   2 GLY D  130    PRO D  131          0        -0.90                     
SITE     1 AC1  6 PHE B 191  GLU C 121  HOH C 303  TYR D  81                    
SITE     2 AC1  6 LYS D  82  ASP D  86                                          
CRYST1  108.010  108.010  224.961  90.00  90.00 120.00 P 65 2 2     24          
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      0.009258  0.005345  0.000000        0.00000                         
SCALE2      0.000000  0.010691  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.004445        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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