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Database: PDB
Entry: 4ZNX
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HEADER    SIGNALING PROTEIN                       05-MAY-15   4ZNX              
TITLE     CRYSTAL STRUCTURE OF THE FYN-SH3 DOMAIN IN COMPLEX WITH THE HIGH      
TITLE    2 AFFINITY PEPTIDE APP12                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE FYN;                               
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 FRAGMENT: SH3 DOMAIN, UNP RESIDUES 84-141;                           
COMPND   5 SYNONYM: PROTO-ONCOGENE SYN,PROTO-ONCOGENE C-FYN,SRC-LIKE KINASE,SLK,
COMPND   6 P59-FYN;                                                             
COMPND   7 EC: 2.7.10.2;                                                        
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: APP12;                                                     
COMPND  11 CHAIN: E, F, G, H;                                                   
COMPND  12 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;                                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET3D;                                    
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 SYNTHETIC: YES;                                                      
SOURCE  12 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE  13 ORGANISM_TAXID: 32630                                                
KEYWDS    BETA SHANDWICH, SIGNALING PROTEIN                                     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.CAMARA-ARTIGAS                                                      
REVDAT   3   28-SEP-16 4ZNX    1       JRNL                                     
REVDAT   2   14-SEP-16 4ZNX    1       JRNL                                     
REVDAT   1   29-JUN-16 4ZNX    0                                                
JRNL        AUTH   A.CAMARA-ARTIGAS,E.ORTIZ-SALMERON,M.ANDUJAR-SANCHEZ,         
JRNL        AUTH 2 J.BACARIZO,J.M.MARTIN-GARCIA                                 
JRNL        TITL   THE ROLE OF WATER MOLECULES IN THE BINDING OF CLASS I AND II 
JRNL        TITL 2 PEPTIDES TO THE SH3 DOMAIN OF THE FYN TYROSINE KINASE.       
JRNL        REF    ACTA CRYSTALLOGR.,SECT.F      V.  72   707 2016              
JRNL        REFN                   ESSN 2053-230X                               
JRNL        PMID   27599862                                                     
JRNL        DOI    10.1107/S2053230X16012310                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.10 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX                                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.86                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.910                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 38671                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.182                           
REMARK   3   R VALUE            (WORKING SET) : 0.180                           
REMARK   3   FREE R VALUE                     : 0.222                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.110                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1978                            
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 19.8580 -  5.0358    0.99     2697   133  0.2015 0.2258        
REMARK   3     2  5.0358 -  4.0078    0.99     2638   159  0.1309 0.1779        
REMARK   3     3  4.0078 -  3.5044    1.00     2709   153  0.1440 0.1671        
REMARK   3     4  3.5044 -  3.1854    1.00     2678   154  0.1551 0.2254        
REMARK   3     5  3.1854 -  2.9579    0.99     2697   171  0.1844 0.2358        
REMARK   3     6  2.9579 -  2.7840    1.00     2714   146  0.1907 0.2560        
REMARK   3     7  2.7840 -  2.6449    0.99     2629   172  0.1988 0.2590        
REMARK   3     8  2.6449 -  2.5300    0.99     2708   182  0.2068 0.2606        
REMARK   3     9  2.5300 -  2.4328    0.99     2626   139  0.2215 0.2719        
REMARK   3    10  2.4328 -  2.3490    0.99     2796   114  0.2309 0.2701        
REMARK   3    11  2.3490 -  2.2756    0.99     2652   118  0.2310 0.2647        
REMARK   3    12  2.2756 -  2.2106    0.96     2630   121  0.2517 0.2864        
REMARK   3    13  2.2106 -  2.1525    0.88     2373   128  0.2809 0.3176        
REMARK   3    14  2.1525 -  2.1001    0.79     2146    88  0.3043 0.4185        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.290            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 28.280           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 42.10                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 55.28                          
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      :  0.010           2127                                  
REMARK   3   ANGLE     :  1.181           2915                                  
REMARK   3   CHIRALITY :  0.053            310                                  
REMARK   3   PLANARITY :  0.006            381                                  
REMARK   3   DIHEDRAL  : 12.228            741                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 20                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 84 THROUGH 89 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -16.6582 -31.5803 -39.6994              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4382 T22:   0.5495                                     
REMARK   3      T33:   0.5987 T12:   0.0050                                     
REMARK   3      T13:  -0.0710 T23:   0.1107                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0359 L22:  -0.0082                                     
REMARK   3      L33:   0.3351 L12:  -0.0201                                     
REMARK   3      L13:   0.1043 L23:  -0.0432                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6942 S12:  -0.6688 S13:   0.2106                       
REMARK   3      S21:   0.9123 S22:  -0.9045 S23:  -0.6077                       
REMARK   3      S31:  -0.0294 S32:  -0.3540 S33:  -0.0102                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 90 THROUGH 99 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -28.8630 -33.9385 -49.7781              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4216 T22:   0.5919                                     
REMARK   3      T33:   0.6077 T12:  -0.0449                                     
REMARK   3      T13:  -0.0086 T23:   0.0405                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4780 L22:   1.6310                                     
REMARK   3      L33:   1.2609 L12:   0.7009                                     
REMARK   3      L13:   0.4596 L23:  -0.9537                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2040 S12:  -0.1749 S13:  -0.3870                       
REMARK   3      S21:  -0.5376 S22:   0.1153 S23:   0.5457                       
REMARK   3      S31:   0.3366 S32:  -0.3227 S33:  -0.0017                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 100 THROUGH 107 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -26.7004 -36.3618 -44.3123              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6394 T22:   0.5720                                     
REMARK   3      T33:   0.6320 T12:  -0.0757                                     
REMARK   3      T13:   0.0916 T23:   0.0848                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4476 L22:   0.2876                                     
REMARK   3      L33:   0.4790 L12:   0.0073                                     
REMARK   3      L13:   0.4822 L23:  -0.0359                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2682 S12:  -0.0893 S13:  -0.4805                       
REMARK   3      S21:   0.3541 S22:  -0.2604 S23:   0.1470                       
REMARK   3      S31:   0.8013 S32:  -1.2431 S33:  -0.0020                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 108 THROUGH 124 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -16.3111 -32.9466 -48.5311              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4103 T22:   0.4842                                     
REMARK   3      T33:   0.5329 T12:   0.0250                                     
REMARK   3      T13:   0.0302 T23:   0.0215                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0191 L22:   2.2593                                     
REMARK   3      L33:   1.6009 L12:  -0.5244                                     
REMARK   3      L13:   1.3609 L23:   1.2888                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0405 S12:  -0.0996 S13:  -0.0904                       
REMARK   3      S21:  -0.3247 S22:  -0.0119 S23:  -0.4928                       
REMARK   3      S31:   0.2393 S32:   0.1427 S33:  -0.0004                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 125 THROUGH 141 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -21.0605 -33.6147 -45.3386              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5114 T22:   0.4530                                     
REMARK   3      T33:   0.5110 T12:   0.0367                                     
REMARK   3      T13:  -0.0099 T23:   0.0316                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8621 L22:   2.3022                                     
REMARK   3      L33:   1.3295 L12:   1.4973                                     
REMARK   3      L13:   1.1696 L23:  -0.0526                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1078 S12:  -0.2521 S13:  -0.4011                       
REMARK   3      S21:  -0.1636 S22:   0.0112 S23:  -0.7649                       
REMARK   3      S31:   0.7760 S32:  -0.0470 S33:  -0.0001                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 86 THROUGH 94 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -24.2341  -8.2799 -38.8092              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4234 T22:   0.4826                                     
REMARK   3      T33:   0.5174 T12:  -0.0542                                     
REMARK   3      T13:  -0.0250 T23:  -0.0388                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6850 L22:   0.5231                                     
REMARK   3      L33:   1.3479 L12:  -0.4405                                     
REMARK   3      L13:  -0.4302 L23:   0.7001                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0607 S12:   0.1009 S13:   0.4353                       
REMARK   3      S21:   0.1532 S22:  -0.1407 S23:   0.4980                       
REMARK   3      S31:  -0.7660 S32:  -0.0318 S33:  -0.0001                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 95 THROUGH 104 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -20.7849 -17.4482 -34.0244              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5753 T22:   0.6116                                     
REMARK   3      T33:   0.5002 T12:  -0.0645                                     
REMARK   3      T13:   0.0835 T23:  -0.0299                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3829 L22:   0.9214                                     
REMARK   3      L33:   0.8254 L12:   0.6226                                     
REMARK   3      L13:  -0.3748 L23:  -0.6785                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3507 S12:  -0.6809 S13:  -0.4190                       
REMARK   3      S21:  -0.0649 S22:  -0.2116 S23:   0.2656                       
REMARK   3      S31:  -0.0287 S32:   0.4462 S33:  -0.0005                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 105 THROUGH 118 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -15.9529  -8.9024 -39.8815              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5207 T22:   0.5974                                     
REMARK   3      T33:   0.5022 T12:  -0.0753                                     
REMARK   3      T13:   0.0419 T23:  -0.0567                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8949 L22:   1.0524                                     
REMARK   3      L33:   1.8470 L12:   0.4103                                     
REMARK   3      L13:   0.1178 L23:  -0.5012                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0399 S12:  -0.0732 S13:  -0.2106                       
REMARK   3      S21:  -0.3595 S22:  -0.1855 S23:   0.2505                       
REMARK   3      S31:  -0.3687 S32:  -0.1978 S33:  -0.0001                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 119 THROUGH 134 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -15.4300 -11.3892 -35.9884              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5514 T22:   0.5590                                     
REMARK   3      T33:   0.5463 T12:  -0.0098                                     
REMARK   3      T13:  -0.0813 T23:  -0.0583                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9531 L22:   1.5465                                     
REMARK   3      L33:   1.2009 L12:   1.2014                                     
REMARK   3      L13:  -0.8883 L23:  -0.9744                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0255 S12:  -0.3957 S13:   0.0528                       
REMARK   3      S21:   0.8403 S22:   0.1557 S23:   0.0212                       
REMARK   3      S31:  -0.0478 S32:   0.4741 S33:   0.0009                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 135 THROUGH 141 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -22.4516  -7.2950 -43.5762              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5885 T22:   0.4650                                     
REMARK   3      T33:   0.5886 T12:  -0.1053                                     
REMARK   3      T13:   0.0249 T23:  -0.0833                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1591 L22:   0.0520                                     
REMARK   3      L33:   0.9214 L12:  -0.0528                                     
REMARK   3      L13:   0.0605 L23:  -0.1967                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2389 S12:   0.0051 S13:   0.7987                       
REMARK   3      S21:   0.4867 S22:   0.3279 S23:   0.8448                       
REMARK   3      S31:  -0.8290 S32:   0.1496 S33:   0.0027                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 86 THROUGH 104 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -29.5859  -1.0546 -56.3277              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6780 T22:   0.5525                                     
REMARK   3      T33:   0.5702 T12:   0.0315                                     
REMARK   3      T13:  -0.0483 T23:   0.0370                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8892 L22:   2.6727                                     
REMARK   3      L33:   1.9058 L12:  -0.1629                                     
REMARK   3      L13:  -1.1955 L23:  -0.0989                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1402 S12:   0.0147 S13:   0.4834                       
REMARK   3      S21:   0.2159 S22:   0.1086 S23:   0.2005                       
REMARK   3      S31:  -0.4380 S32:  -0.3027 S33:  -0.0001                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 105 THROUGH 118 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -22.8859  -2.6104 -61.9174              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6440 T22:   0.5788                                     
REMARK   3      T33:   0.5355 T12:  -0.0625                                     
REMARK   3      T13:   0.0231 T23:   0.0770                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7504 L22:   2.3883                                     
REMARK   3      L33:   1.7640 L12:  -0.0421                                     
REMARK   3      L13:   0.1533 L23:   0.6875                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4518 S12:  -0.2049 S13:  -0.3513                       
REMARK   3      S21:  -0.4419 S22:  -0.2846 S23:  -0.1608                       
REMARK   3      S31:  -0.4939 S32:   0.2953 S33:   0.0009                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 119 THROUGH 141 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -25.0542  -1.3281 -60.3923              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6328 T22:   0.4951                                     
REMARK   3      T33:   0.5233 T12:  -0.0209                                     
REMARK   3      T13:  -0.0675 T23:   0.0426                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2731 L22:   2.6092                                     
REMARK   3      L33:   2.6597 L12:  -1.8465                                     
REMARK   3      L13:  -0.9114 L23:   0.8315                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1484 S12:   0.0404 S13:   0.3742                       
REMARK   3      S21:  -0.0848 S22:  -0.1607 S23:  -0.3285                       
REMARK   3      S31:  -0.6802 S32:  -0.0669 S33:  -0.0001                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 85 THROUGH 89 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -26.9924 -32.2420 -66.6090              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4939 T22:   0.5503                                     
REMARK   3      T33:   0.5683 T12:  -0.0393                                     
REMARK   3      T13:  -0.0084 T23:  -0.0828                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4928 L22:   0.4441                                     
REMARK   3      L33:   0.5032 L12:   0.3491                                     
REMARK   3      L13:   0.3848 L23:   0.2667                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5997 S12:   0.7412 S13:  -0.1713                       
REMARK   3      S21:  -0.0018 S22:  -0.2813 S23:   0.0203                       
REMARK   3      S31:   0.6249 S32:   0.6281 S33:   0.0009                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 90 THROUGH 107 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -34.8794 -21.2072 -67.2036              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6866 T22:   0.6240                                     
REMARK   3      T33:   0.6352 T12:  -0.0109                                     
REMARK   3      T13:  -0.1221 T23:  -0.0614                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2302 L22:   1.0668                                     
REMARK   3      L33:   1.4961 L12:  -0.5100                                     
REMARK   3      L13:   0.9126 L23:  -0.3065                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0281 S12:   0.4868 S13:   0.2137                       
REMARK   3      S21:  -0.3375 S22:  -0.2593 S23:   0.7100                       
REMARK   3      S31:  -0.9824 S32:  -0.0831 S33:   0.0001                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 108 THROUGH 141 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -26.3452 -24.9196 -68.7891              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6825 T22:   0.5290                                     
REMARK   3      T33:   0.4607 T12:  -0.0203                                     
REMARK   3      T13:  -0.0278 T23:  -0.0495                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4324 L22:   4.1234                                     
REMARK   3      L33:   2.8331 L12:  -1.9043                                     
REMARK   3      L13:   0.6173 L23:   2.2506                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0226 S12:   0.4852 S13:  -0.0392                       
REMARK   3      S21:  -0.8417 S22:  -0.0417 S23:   0.1674                       
REMARK   3      S31:  -0.1047 S32:   0.3982 S33:   0.0014                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'E' AND (RESID 1 THROUGH 10 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -24.2295 -26.1836 -56.0175              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4221 T22:   0.4336                                     
REMARK   3      T33:   0.3989 T12:  -0.0020                                     
REMARK   3      T13:   0.0113 T23:  -0.0046                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5037 L22:   2.7469                                     
REMARK   3      L33:   2.2843 L12:   0.6614                                     
REMARK   3      L13:   2.3986 L23:   0.6391                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2471 S12:  -0.1225 S13:   0.3127                       
REMARK   3      S21:  -0.2920 S22:   0.6176 S23:  -0.2803                       
REMARK   3      S31:   0.8745 S32:   0.5473 S33:  -0.0021                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'F' AND (RESID 1 THROUGH 10 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -20.5685 -20.4513 -45.3693              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3832 T22:   0.4188                                     
REMARK   3      T33:   0.4919 T12:  -0.0373                                     
REMARK   3      T13:  -0.0227 T23:  -0.0007                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6838 L22:   4.5143                                     
REMARK   3      L33:   3.2476 L12:   1.3804                                     
REMARK   3      L13:   1.8691 L23:   0.0068                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4906 S12:   0.3027 S13:   0.2499                       
REMARK   3      S21:   0.2149 S22:  -0.3515 S23:  -1.1040                       
REMARK   3      S31:  -0.3312 S32:   0.1402 S33:   0.0195                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'G' AND (RESID 1 THROUGH 9 )                     
REMARK   3    ORIGIN FOR THE GROUP (A): -24.7456  -9.2893 -50.9646              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5721 T22:   0.5146                                     
REMARK   3      T33:   0.4472 T12:  -0.0733                                     
REMARK   3      T13:  -0.0575 T23:   0.0299                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1004 L22:   1.1151                                     
REMARK   3      L33:   1.4589 L12:  -0.2348                                     
REMARK   3      L13:   0.0667 L23:  -1.1162                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1359 S12:   0.2738 S13:   0.3198                       
REMARK   3      S21:  -0.3071 S22:  -0.1604 S23:   0.2638                       
REMARK   3      S31:  -0.2886 S32:  -0.0137 S33:  -0.0007                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'H' AND (RESID 1 THROUGH 10 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -27.1003 -15.1330 -60.9173              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6033 T22:   0.4214                                     
REMARK   3      T33:   0.4983 T12:  -0.0470                                     
REMARK   3      T13:   0.0562 T23:  -0.0136                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4864 L22:   2.0424                                     
REMARK   3      L33:   1.9548 L12:  -0.8984                                     
REMARK   3      L13:   1.1510 L23:   0.5434                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3777 S12:  -0.2337 S13:   0.4639                       
REMARK   3      S21:  -1.4907 S22:   0.3144 S23:   0.0596                       
REMARK   3      S31:   0.2067 S32:  -0.1137 S33:  -0.0045                       
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 4ZNX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 05-MAY-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000209598.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 22-NOV-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID23-1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97626                            
REMARK 200  MONOCHROMATOR                  : SINGLE CRYSTAL                     
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : AUTOPROC                           
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS 0.5.1, AUTOPROC            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 20052                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.100                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 19.860                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.2                               
REMARK 200  DATA REDUNDANCY                : 7.700                              
REMARK 200  R MERGE                    (I) : 0.09200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 16.6000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.16                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 84.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.63600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 3UA6                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 56.97                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.86                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 4 M SODIUM FORMATE, 0.1 M HEPES, PH      
REMARK 280  7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       38.33200            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: OCTAMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 7920 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 12080 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -44.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F, G, H                
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     VAL B    84                                                      
REMARK 465     THR B    85                                                      
REMARK 465     VAL C    84                                                      
REMARK 465     THR C    85                                                      
REMARK 465     VAL D    84                                                      
REMARK 465     ARG E    11                                                      
REMARK 465     LEU E    12                                                      
REMARK 465     ARG F    11                                                      
REMARK 465     LEU F    12                                                      
REMARK 465     PRO G    10                                                      
REMARK 465     ARG G    11                                                      
REMARK 465     LEU G    12                                                      
REMARK 465     ARG H    11                                                      
REMARK 465     LEU H    12                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     VAL A  84    CG1  CG2                                            
REMARK 470     THR A  85    OG1  CG2                                            
REMARK 470     GLU A  98    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 116    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 129    CG   CD   OE1  OE2                                  
REMARK 470     GLU B  94    CG   CD   OE1  OE2                                  
REMARK 470     GLU B  98    CG   CD   OE1  OE2                                  
REMARK 470     HIS B 104    CG   ND1  CD2  CE1  NE2                             
REMARK 470     GLU B 116    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 129    CG   CD   OE1  OE2                                  
REMARK 470     GLU C  94    CG   CD   OE1  OE2                                  
REMARK 470     GLU C  98    CG   CD   OE1  OE2                                  
REMARK 470     LYS C 108    CG   CD   CE   NZ                                   
REMARK 470     GLU C 129    CG   CD   OE1  OE2                                  
REMARK 470     VAL C 141    CG1  CG2                                            
REMARK 470     GLU D  98    CG   CD   OE1  OE2                                  
REMARK 470     HIS D 104    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS D 105    CG   CD   CE   NZ                                   
REMARK 470     GLU D 129    CG   CD   OE1  OE2                                  
REMARK 470     ARG G   9    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG H   9    CG   CD   NE   CZ   NH1  NH2                        
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 113      118.73   -161.71                                   
REMARK 500    ASN C 113      114.55   -160.44                                   
REMARK 500    ASN D 113      115.01   -161.58                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4EIK   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE HUMAN FYN SH3 DOMAIN IN COMPLEX WITH THE    
REMARK 900 SYNTHETIC PEPTIDE VSL12                                              
REMARK 900 RELATED ID: 3UA6   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE HUMAN FYN SH3 DOMAIN                        
REMARK 900 RELATED ID: 3UA7   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE HUMAN FYN SH3 DOMAIN IN COMPLEX WITH A      
REMARK 900 PEPTIDE FROM THE HEPATITIS C VIRUS NS5A-PROTEIN                      
DBREF  4ZNX A   84   141  UNP    P06241   FYN_HUMAN       84    141             
DBREF  4ZNX B   84   141  UNP    P06241   FYN_HUMAN       84    141             
DBREF  4ZNX C   84   141  UNP    P06241   FYN_HUMAN       84    141             
DBREF  4ZNX D   84   141  UNP    P06241   FYN_HUMAN       84    141             
DBREF  4ZNX E    1    12  PDB    4ZNX     4ZNX             1     12             
DBREF  4ZNX F    1    12  PDB    4ZNX     4ZNX             1     12             
DBREF  4ZNX G    1    12  PDB    4ZNX     4ZNX             1     12             
DBREF  4ZNX H    1    12  PDB    4ZNX     4ZNX             1     12             
SEQRES   1 A   58  VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU ALA ARG          
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   58  VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU ALA ARG          
SEQRES   2 B   58  THR GLU ASP ASP LEU SER PHE HIS LYS GLY GLU LYS PHE          
SEQRES   3 B   58  GLN ILE LEU ASN SER SER GLU GLY ASP TRP TRP GLU ALA          
SEQRES   4 B   58  ARG SER LEU THR THR GLY GLU THR GLY TYR ILE PRO SER          
SEQRES   5 B   58  ASN TYR VAL ALA PRO VAL                                      
SEQRES   1 C   58  VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU ALA ARG          
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   58  VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU ALA ARG          
SEQRES   2 D   58  THR GLU ASP ASP LEU SER PHE HIS LYS GLY GLU LYS PHE          
SEQRES   3 D   58  GLN ILE LEU ASN SER SER GLU GLY ASP TRP TRP GLU ALA          
SEQRES   4 D   58  ARG SER LEU THR THR GLY GLU THR GLY TYR ILE PRO SER          
SEQRES   5 D   58  ASN TYR VAL ALA PRO VAL                                      
SEQRES   1 E   12  ALA PRO PRO LEU PRO PRO ARG ASN ARG PRO ARG LEU              
SEQRES   1 F   12  ALA PRO PRO LEU PRO PRO ARG ASN ARG PRO ARG LEU              
SEQRES   1 G   12  ALA PRO PRO LEU PRO PRO ARG ASN ARG PRO ARG LEU              
SEQRES   1 H   12  ALA PRO PRO LEU PRO PRO ARG ASN ARG PRO ARG LEU              
FORMUL   9  HOH   *58(H2 O)                                                     
SHEET    1 AA1 5 THR A 130  PRO A 134  0                                        
SHEET    2 AA1 5 TRP A 119  SER A 124 -1  N  ALA A 122   O  GLY A 131           
SHEET    3 AA1 5 LYS A 108  ASN A 113 -1  N  GLN A 110   O  ARG A 123           
SHEET    4 AA1 5 LEU A  86  ALA A  89 -1  N  PHE A  87   O  PHE A 109           
SHEET    5 AA1 5 VAL A 138  PRO A 140 -1  O  ALA A 139   N  VAL A  88           
SHEET    1 AA2 5 THR B 130  PRO B 134  0                                        
SHEET    2 AA2 5 TRP B 119  SER B 124 -1  N  ALA B 122   O  GLY B 131           
SHEET    3 AA2 5 LYS B 108  ASN B 113 -1  N  GLN B 110   O  ARG B 123           
SHEET    4 AA2 5 PHE B  87  ALA B  89 -1  N  PHE B  87   O  PHE B 109           
SHEET    5 AA2 5 VAL B 138  PRO B 140 -1  O  ALA B 139   N  VAL B  88           
SHEET    1 AA3 5 THR C 130  PRO C 134  0                                        
SHEET    2 AA3 5 TRP C 119  SER C 124 -1  N  ALA C 122   O  GLY C 131           
SHEET    3 AA3 5 LYS C 108  ASN C 113 -1  N  GLN C 110   O  ARG C 123           
SHEET    4 AA3 5 PHE C  87  ALA C  89 -1  N  PHE C  87   O  PHE C 109           
SHEET    5 AA3 5 VAL C 138  PRO C 140 -1  O  ALA C 139   N  VAL C  88           
SHEET    1 AA4 5 THR D 130  PRO D 134  0                                        
SHEET    2 AA4 5 TRP D 119  SER D 124 -1  N  ALA D 122   O  GLY D 131           
SHEET    3 AA4 5 LYS D 108  ASN D 113 -1  N  LEU D 112   O  GLU D 121           
SHEET    4 AA4 5 LEU D  86  ALA D  89 -1  N  PHE D  87   O  PHE D 109           
SHEET    5 AA4 5 VAL D 138  PRO D 140 -1  O  ALA D 139   N  VAL D  88           
CRYST1   31.658   76.664   73.175  90.00  94.74  90.00 P 1 21 1      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      0.031588  0.000000  0.002622        0.00000                         
SCALE2      0.000000  0.013044  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013713        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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