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Entry: 4TPW
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HEADER    PROTEIN BINDING                         09-JUN-14   4TPW              
TITLE     THE CO-COMPLEX STRUCTURE OF THE TRANSLATION INITIATION FACTOR EIF4E   
TITLE    2 WITH THE INHIBITOR 4EGI-1 REVEALS AN ALLOSTERIC MECHANISM FOR        
TITLE    3 DISSOCIATING EIF4G                                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E;               
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 28-217;                                       
COMPND   5 SYNONYM: EIF4E,EIF-4F 25 KDA SUBUNIT,MRNA CAP-BINDING PROTEIN;       
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: EIF4E, EIF4EL1, EIF4F;                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21                                       
KEYWDS    EIF4E, 4EGI1, ALLOSTERIC, TRANSLATION INITIATION INHIBITOR, PROTEIN   
KEYWDS   2 BINDING                                                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    E.PAPADOPOULOS,S.JENNI,G.WAGNER                                       
REVDAT   4   04-DEC-19 4TPW    1       REMARK                                   
REVDAT   3   06-SEP-17 4TPW    1       SOURCE JRNL   REMARK ATOM                
REVDAT   2   01-OCT-14 4TPW    1       JRNL                                     
REVDAT   1   13-AUG-14 4TPW    0                                                
JRNL        AUTH   E.PAPADOPOULOS,S.JENNI,E.KABHA,K.J.TAKROURI,T.YI,N.SALVI,    
JRNL        AUTH 2 R.E.LUNA,E.GAVATHIOTIS,P.MAHALINGAM,H.ARTHANARI,             
JRNL        AUTH 3 R.RODRIGUEZ-MIAS,R.YEFIDOFF-FREEDMAN,B.H.AKTAS,M.CHOREV,     
JRNL        AUTH 4 J.A.HALPERIN,G.WAGNER                                        
JRNL        TITL   STRUCTURE OF THE EUKARYOTIC TRANSLATION INITIATION FACTOR    
JRNL        TITL 2 EIF4E IN COMPLEX WITH 4EGI-1 REVEALS AN ALLOSTERIC MECHANISM 
JRNL        TITL 3 FOR DISSOCIATING EIF4G.                                      
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 111 E3187 2014              
JRNL        REFN                   ESSN 1091-6490                               
JRNL        PMID   25049413                                                     
JRNL        DOI    10.1073/PNAS.1410250111                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.9_1692)                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.67                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 95.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 54437                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.173                           
REMARK   3   R VALUE            (WORKING SET) : 0.172                           
REMARK   3   FREE R VALUE                     : 0.193                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.370                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2377                            
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 19.6676 -  3.8479    0.88     2879   143  0.1482 0.1876        
REMARK   3     2  3.8479 -  3.0579    0.90     2907   140  0.1393 0.1488        
REMARK   3     3  3.0579 -  2.6724    0.92     2982   137  0.1651 0.1660        
REMARK   3     4  2.6724 -  2.4286    0.93     3013   135  0.1654 0.2023        
REMARK   3     5  2.4286 -  2.2548    0.94     3034   136  0.1548 0.1715        
REMARK   3     6  2.2548 -  2.1220    0.94     3053   132  0.1612 0.1685        
REMARK   3     7  2.1220 -  2.0158    0.95     3059   139  0.1646 0.1819        
REMARK   3     8  2.0158 -  1.9282    0.96     3086   134  0.1795 0.2348        
REMARK   3     9  1.9282 -  1.8540    0.97     3113   134  0.1909 0.1867        
REMARK   3    10  1.8540 -  1.7901    0.97     3083   148  0.2012 0.2415        
REMARK   3    11  1.7901 -  1.7341    0.97     3130   138  0.2099 0.2518        
REMARK   3    12  1.7341 -  1.6846    0.98     3171   137  0.2273 0.2760        
REMARK   3    13  1.6846 -  1.6403    0.98     3079   151  0.2379 0.2627        
REMARK   3    14  1.6403 -  1.6003    0.98     3179   143  0.2577 0.2671        
REMARK   3    15  1.6003 -  1.5639    0.97     3065   145  0.2817 0.3252        
REMARK   3    16  1.5639 -  1.5306    0.98     3160   142  0.3038 0.3279        
REMARK   3    17  1.5306 -  1.5000    0.96     3067   143  0.3248 0.3293        
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)     : 0.170            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.820           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.004           3327                                  
REMARK   3   ANGLE     :  0.812           4543                                  
REMARK   3   CHIRALITY :  0.030            470                                  
REMARK   3   PLANARITY :  0.003            568                                  
REMARK   3   DIHEDRAL  : 15.058           1245                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 35                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ( CHAIN A AND RESID 33:57 )                            
REMARK   3    ORIGIN FOR THE GROUP (A):   6.1028  -4.3040  -0.5472              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1723 T22:   0.1541                                     
REMARK   3      T33:   0.1575 T12:  -0.0200                                     
REMARK   3      T13:   0.0701 T23:   0.0044                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.2631 L22:   2.8265                                     
REMARK   3      L33:   4.3276 L12:   0.1984                                     
REMARK   3      L13:   2.3896 L23:   0.4364                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0850 S12:  -0.0142 S13:   0.2638                       
REMARK   3      S21:  -0.2392 S22:  -0.0119 S23:   0.0722                       
REMARK   3      S31:  -0.0556 S32:  -0.0545 S33:   0.1533                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: ( CHAIN A AND RESID 58:64 )                            
REMARK   3    ORIGIN FOR THE GROUP (A):   0.0990  -0.6325  -4.8745              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2333 T22:   0.2230                                     
REMARK   3      T33:   0.2223 T12:   0.0154                                     
REMARK   3      T13:  -0.0103 T23:   0.0254                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5179 L22:   5.9197                                     
REMARK   3      L33:   7.7413 L12:   3.0196                                     
REMARK   3      L13:   5.7945 L23:   3.0739                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2250 S12:   0.1718 S13:   0.8789                       
REMARK   3      S21:  -0.3797 S22:  -0.1095 S23:   0.2650                       
REMARK   3      S31:   0.0384 S32:  -0.1041 S33:   0.3575                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: ( CHAIN A AND RESID 65:78 )                            
REMARK   3    ORIGIN FOR THE GROUP (A):  11.4158  -2.0689   8.4005              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1328 T22:   0.1636                                     
REMARK   3      T33:   0.1774 T12:  -0.0169                                     
REMARK   3      T13:   0.0198 T23:   0.0216                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0156 L22:   4.0050                                     
REMARK   3      L33:   4.7997 L12:  -0.9664                                     
REMARK   3      L13:   1.5091 L23:   0.4462                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1326 S12:  -0.0413 S13:   0.2125                       
REMARK   3      S21:  -0.1449 S22:   0.1416 S23:  -0.0981                       
REMARK   3      S31:  -0.1178 S32:   0.0862 S33:   0.0191                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: ( CHAIN A AND RESID 79:87 )                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.1881  -1.7773  10.3507              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4032 T22:   0.6658                                     
REMARK   3      T33:   0.6719 T12:   0.0837                                     
REMARK   3      T13:   0.0878 T23:  -0.0018                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3794 L22:   4.8879                                     
REMARK   3      L33:   5.2049 L12:   2.2280                                     
REMARK   3      L13:   3.2005 L23:  -0.6434                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0811 S12:  -1.0569 S13:  -0.1943                       
REMARK   3      S21:   0.6097 S22:  -0.4370 S23:   1.8073                       
REMARK   3      S31:   0.2215 S32:  -0.3457 S33:   0.3845                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: ( CHAIN A AND RESID 88:104 )                           
REMARK   3    ORIGIN FOR THE GROUP (A):   3.5090  -8.9911  -5.4779              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2735 T22:   0.1642                                     
REMARK   3      T33:   0.1872 T12:   0.0322                                     
REMARK   3      T13:  -0.0183 T23:   0.0285                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.9726 L22:   5.3538                                     
REMARK   3      L33:   5.3504 L12:   0.1880                                     
REMARK   3      L13:   2.0144 L23:   0.2008                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1293 S12:   0.2428 S13:   0.1576                       
REMARK   3      S21:  -0.6399 S22:  -0.0467 S23:   0.3347                       
REMARK   3      S31:  -0.2081 S32:  -0.0427 S33:  -0.1453                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: ( CHAIN A AND RESID 105:109 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):   8.2453 -15.6413 -13.9606              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5138 T22:   0.3336                                     
REMARK   3      T33:   0.2154 T12:   0.0943                                     
REMARK   3      T13:   0.0448 T23:  -0.0335                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.2147 L22:   8.1137                                     
REMARK   3      L33:   1.9297 L12:   2.9197                                     
REMARK   3      L13:  -3.0706 L23:  -1.2890                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0268 S12:   0.6569 S13:   0.1777                       
REMARK   3      S21:  -1.1563 S22:   0.1802 S23:  -0.6141                       
REMARK   3      S31:  -0.1213 S32:   0.3307 S33:  -0.2775                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: ( CHAIN A AND RESID 110:124 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.0392 -18.5789   7.5079              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3194 T22:   0.4602                                     
REMARK   3      T33:   0.3965 T12:  -0.1020                                     
REMARK   3      T13:   0.0644 T23:  -0.0356                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4905 L22:   5.3095                                     
REMARK   3      L33:   4.6259 L12:  -1.6069                                     
REMARK   3      L13:  -1.2799 L23:   1.0708                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0705 S12:  -0.7057 S13:  -0.0416                       
REMARK   3      S21:   0.4235 S22:  -0.0239 S23:   0.9618                       
REMARK   3      S31:   0.2212 S32:  -0.5338 S33:   0.0357                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: ( CHAIN A AND RESID 125:141 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.4057 -14.1786   9.3854              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1473 T22:   0.1580                                     
REMARK   3      T33:   0.1495 T12:  -0.0358                                     
REMARK   3      T13:   0.0083 T23:   0.0088                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.3673 L22:   4.9103                                     
REMARK   3      L33:   4.3087 L12:  -0.8291                                     
REMARK   3      L13:  -0.5022 L23:   0.0406                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2513 S12:  -0.1441 S13:   0.0454                       
REMARK   3      S21:   0.1806 S22:  -0.0746 S23:   0.0774                       
REMARK   3      S31:   0.1916 S32:  -0.1275 S33:  -0.1344                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: ( CHAIN A AND RESID 142:147 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.7400 -21.4803   0.2562              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3049 T22:   0.4012                                     
REMARK   3      T33:   0.3763 T12:   0.0580                                     
REMARK   3      T13:   0.0285 T23:  -0.0553                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7801 L22:   3.6380                                     
REMARK   3      L33:   8.7965 L12:  -3.5650                                     
REMARK   3      L13:   1.2167 L23:   0.3560                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1764 S12:   0.2370 S13:  -0.3409                       
REMARK   3      S21:  -0.4794 S22:   0.0060 S23:  -0.4887                       
REMARK   3      S31:   0.0589 S32:   1.5719 S33:   0.1327                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: ( CHAIN A AND RESID 148:168 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.1430 -15.4370   0.1825              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1798 T22:   0.1699                                     
REMARK   3      T33:   0.1445 T12:  -0.0363                                     
REMARK   3      T13:  -0.0127 T23:  -0.0112                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.1072 L22:   4.3897                                     
REMARK   3      L33:   3.8560 L12:  -0.3232                                     
REMARK   3      L13:   0.5527 L23:  -0.0363                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0813 S12:  -0.0515 S13:  -0.1401                       
REMARK   3      S21:  -0.0265 S22:  -0.1024 S23:   0.3843                       
REMARK   3      S31:   0.3597 S32:  -0.3751 S33:   0.0240                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: ( CHAIN A AND RESID 169:174 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.4687 -27.6217  -8.4885              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5917 T22:   0.3915                                     
REMARK   3      T33:   0.3556 T12:   0.1089                                     
REMARK   3      T13:  -0.0055 T23:  -0.0916                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.1510 L22:   2.9967                                     
REMARK   3      L33:   2.7660 L12:  -2.6428                                     
REMARK   3      L13:   0.9917 L23:  -2.5923                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6842 S12:   0.4834 S13:  -0.7892                       
REMARK   3      S21:  -1.1920 S22:  -0.1945 S23:  -0.0210                       
REMARK   3      S31:   0.6744 S32:   0.6619 S33:  -0.4824                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: ( CHAIN A AND RESID 175:184 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.4353 -26.0520   3.3168              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3184 T22:   0.2052                                     
REMARK   3      T33:   0.2777 T12:   0.0111                                     
REMARK   3      T13:  -0.0595 T23:  -0.0017                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1397 L22:   4.1735                                     
REMARK   3      L33:   3.0868 L12:   1.3971                                     
REMARK   3      L13:  -3.5464 L23:   1.4223                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1431 S12:  -0.1893 S13:  -0.5422                       
REMARK   3      S21:   0.1040 S22:  -0.2931 S23:  -0.1503                       
REMARK   3      S31:   0.3270 S32:   0.1980 S33:  -0.0028                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: ( CHAIN A AND RESID 185:189 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.8273 -22.7524  11.8171              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3554 T22:   0.3121                                     
REMARK   3      T33:   0.2709 T12:  -0.0881                                     
REMARK   3      T13:  -0.0806 T23:   0.0206                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.6471 L22:   2.1491                                     
REMARK   3      L33:   8.5569 L12:   3.9975                                     
REMARK   3      L13:  -4.0219 L23:   0.0715                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6156 S12:  -0.5329 S13:  -0.6540                       
REMARK   3      S21:   0.5591 S22:  -0.5268 S23:  -0.0911                       
REMARK   3      S31:  -0.2893 S32:   0.3401 S33:  -0.0259                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: ( CHAIN A AND RESID 190:198 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.4043 -28.3796   4.7346              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4372 T22:   0.2387                                     
REMARK   3      T33:   0.3296 T12:  -0.0593                                     
REMARK   3      T13:  -0.0897 T23:   0.0003                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.0598 L22:   4.3492                                     
REMARK   3      L33:   5.1963 L12:   1.2106                                     
REMARK   3      L13:  -2.5330 L23:  -1.1300                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2050 S12:  -0.3133 S13:  -0.4688                       
REMARK   3      S21:   0.2613 S22:  -0.2515 S23:   0.2105                       
REMARK   3      S31:   0.1083 S32:  -0.2257 S33:  -0.0864                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: ( CHAIN A AND RESID 199:206 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.6508 -22.0644 -11.4472              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5166 T22:   0.3954                                     
REMARK   3      T33:   0.3847 T12:   0.0103                                     
REMARK   3      T13:  -0.1898 T23:  -0.0800                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.8329 L22:   2.4240                                     
REMARK   3      L33:   2.9518 L12:  -0.3106                                     
REMARK   3      L13:   3.9233 L23:   0.6648                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0688 S12:   0.4115 S13:  -0.2634                       
REMARK   3      S21:  -1.4539 S22:  -0.0942 S23:   1.2251                       
REMARK   3      S31:   0.2353 S32:  -0.8277 S33:   0.1752                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: ( CHAIN A AND RESID 207:217 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.9612 -27.7914  -4.5154              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5276 T22:   0.3644                                     
REMARK   3      T33:   0.4507 T12:   0.0283                                     
REMARK   3      T13:  -0.1470 T23:  -0.0764                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1782 L22:   8.1162                                     
REMARK   3      L33:   2.4759 L12:  -1.3573                                     
REMARK   3      L13:   1.0120 L23:  -3.7591                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2580 S12:   0.4107 S13:   0.1668                       
REMARK   3      S21:  -0.4008 S22:   0.0403 S23:   1.1675                       
REMARK   3      S31:  -0.8708 S32:  -0.7417 S33:   0.1668                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 35:40 )                            
REMARK   3    ORIGIN FOR THE GROUP (A):  21.5319 -22.4482  15.0456              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2644 T22:   0.3057                                     
REMARK   3      T33:   0.3663 T12:   0.0731                                     
REMARK   3      T13:   0.0300 T23:  -0.0149                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4274 L22:   3.1997                                     
REMARK   3      L33:   8.4279 L12:  -0.0244                                     
REMARK   3      L13:   2.1274 L23:   4.3835                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1272 S12:   0.7742 S13:  -0.2823                       
REMARK   3      S21:   0.2434 S22:   0.2368 S23:  -0.8317                       
REMARK   3      S31:   0.2759 S32:   0.5505 S33:  -0.3225                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 41:49 )                            
REMARK   3    ORIGIN FOR THE GROUP (A):  14.5609 -19.0148  31.1914              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2165 T22:   0.1278                                     
REMARK   3      T33:   0.1835 T12:  -0.0315                                     
REMARK   3      T13:  -0.0379 T23:   0.0238                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.6428 L22:   4.7474                                     
REMARK   3      L33:   6.2478 L12:  -1.4403                                     
REMARK   3      L13:  -2.1774 L23:   0.5887                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0501 S12:  -0.1199 S13:  -0.2922                       
REMARK   3      S21:   0.4484 S22:  -0.0746 S23:  -0.0150                       
REMARK   3      S31:   0.2506 S32:  -0.0877 S33:   0.1026                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 50:55 )                            
REMARK   3    ORIGIN FOR THE GROUP (A):   3.8902 -16.7514  47.1255              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9209 T22:   0.9211                                     
REMARK   3      T33:   0.8005 T12:   0.0240                                     
REMARK   3      T13:   0.1398 T23:   0.1026                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6527 L22:   2.3703                                     
REMARK   3      L33:   9.5715 L12:   0.8267                                     
REMARK   3      L13:   0.0570 L23:   3.7535                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5118 S12:   0.2321 S13:   0.0649                       
REMARK   3      S21:  -0.0114 S22:   0.6636 S23:   1.0023                       
REMARK   3      S31:  -0.5268 S32:  -0.7283 S33:  -0.3349                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 56:77 )                            
REMARK   3    ORIGIN FOR THE GROUP (A):  12.3730 -20.7701  28.2664              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2272 T22:   0.1408                                     
REMARK   3      T33:   0.2144 T12:  -0.0287                                     
REMARK   3      T13:  -0.0121 T23:   0.0199                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6055 L22:   1.6592                                     
REMARK   3      L33:   4.6289 L12:   0.3468                                     
REMARK   3      L13:  -0.6225 L23:  -0.0930                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0727 S12:  -0.0493 S13:  -0.0993                       
REMARK   3      S21:   0.1531 S22:   0.0151 S23:  -0.0484                       
REMARK   3      S31:   0.3621 S32:  -0.0718 S33:  -0.1363                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 78:82 )                            
REMARK   3    ORIGIN FOR THE GROUP (A):   1.9373 -18.5789  25.4031              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4721 T22:   0.3630                                     
REMARK   3      T33:   0.3559 T12:  -0.1532                                     
REMARK   3      T13:  -0.0612 T23:   0.0145                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.1750 L22:   3.7333                                     
REMARK   3      L33:   2.3659 L12:   0.2454                                     
REMARK   3      L13:   0.8405 L23:   2.9170                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2853 S12:  -0.0897 S13:  -0.6417                       
REMARK   3      S21:   0.8378 S22:   0.0701 S23:   0.6526                       
REMARK   3      S31:   1.3062 S32:  -0.7518 S33:   0.3976                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 83:102 )                           
REMARK   3    ORIGIN FOR THE GROUP (A):  11.0583 -14.2053  34.0169              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2943 T22:   0.1747                                     
REMARK   3      T33:   0.2308 T12:  -0.0343                                     
REMARK   3      T13:   0.0107 T23:   0.0508                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1095 L22:   3.9565                                     
REMARK   3      L33:   4.1893 L12:  -0.7187                                     
REMARK   3      L13:  -0.0064 L23:  -0.1529                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0002 S12:  -0.1650 S13:  -0.1968                       
REMARK   3      S21:   0.5482 S22:   0.0106 S23:   0.1819                       
REMARK   3      S31:   0.0612 S32:  -0.2511 S33:  -0.0238                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 103:107 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  23.9804 -11.5251  39.3883              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4231 T22:   0.3272                                     
REMARK   3      T33:   0.3402 T12:  -0.0301                                     
REMARK   3      T13:  -0.1927 T23:   0.0748                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7363 L22:   5.4020                                     
REMARK   3      L33:   8.9576 L12:   0.0809                                     
REMARK   3      L13:  -2.5366 L23:  -1.0277                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0077 S12:  -0.9956 S13:  -0.5145                       
REMARK   3      S21:   0.3062 S22:   0.1239 S23:  -0.5477                       
REMARK   3      S31:   0.1655 S32:   0.2901 S33:   0.2160                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 108:125 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):   7.4351  -1.5792  30.1705              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2431 T22:   0.2195                                     
REMARK   3      T33:   0.2308 T12:  -0.0107                                     
REMARK   3      T13:   0.0465 T23:  -0.0106                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9255 L22:   3.9602                                     
REMARK   3      L33:   4.2183 L12:   0.8058                                     
REMARK   3      L13:   1.8562 L23:   0.2148                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0218 S12:  -0.1406 S13:   0.2542                       
REMARK   3      S21:   0.3403 S22:  -0.1035 S23:   0.4443                       
REMARK   3      S31:   0.0341 S32:  -0.4710 S33:   0.0037                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 126:142 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.2756  -8.7238  21.4343              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1304 T22:   0.1506                                     
REMARK   3      T33:   0.1545 T12:  -0.0156                                     
REMARK   3      T13:   0.0233 T23:   0.0099                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2077 L22:   4.5406                                     
REMARK   3      L33:   3.2446 L12:  -0.8423                                     
REMARK   3      L13:   0.2711 L23:  -0.1592                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0204 S12:   0.0606 S13:   0.0804                       
REMARK   3      S21:   0.1179 S22:  -0.0488 S23:  -0.0879                       
REMARK   3      S31:  -0.0390 S32:  -0.0246 S33:   0.0633                       
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 143:147 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  27.4664  -5.3606  21.9497              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1773 T22:   0.4153                                     
REMARK   3      T33:   0.4349 T12:  -0.0013                                     
REMARK   3      T13:   0.0098 T23:  -0.0378                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.3138 L22:   9.3664                                     
REMARK   3      L33:   4.7093 L12:   7.0467                                     
REMARK   3      L13:  -0.5729 L23:  -0.7980                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1510 S12:   0.6275 S13:  -0.2656                       
REMARK   3      S21:  -0.2377 S22:   0.3138 S23:  -0.8067                       
REMARK   3      S31:   0.2358 S32:   1.0171 S33:  -0.0201                       
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 148:170 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.4976  -5.8705  33.0619              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2523 T22:   0.1369                                     
REMARK   3      T33:   0.1483 T12:  -0.0089                                     
REMARK   3      T13:  -0.0142 T23:  -0.0032                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8971 L22:   4.5771                                     
REMARK   3      L33:   3.9174 L12:   0.2675                                     
REMARK   3      L13:   0.0517 L23:   0.2080                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0828 S12:  -0.3098 S13:   0.1432                       
REMARK   3      S21:   0.4815 S22:  -0.0560 S23:   0.0114                       
REMARK   3      S31:  -0.1011 S32:  -0.1166 S33:   0.0998                       
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 171:180 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  25.4371   2.5683  27.8299              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2012 T22:   0.2642                                     
REMARK   3      T33:   0.3023 T12:  -0.0390                                     
REMARK   3      T13:  -0.0268 T23:   0.0157                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.7836 L22:   4.8260                                     
REMARK   3      L33:   1.7729 L12:   0.4690                                     
REMARK   3      L13:  -0.8636 L23:  -2.6974                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2869 S12:   0.2807 S13:   0.0028                       
REMARK   3      S21:   0.5193 S22:  -0.2450 S23:  -0.7088                       
REMARK   3      S31:  -0.0883 S32:   0.6897 S33:   0.0507                       
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 181:186 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.4458   1.4051  20.2187              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1744 T22:   0.2013                                     
REMARK   3      T33:   0.2099 T12:  -0.0106                                     
REMARK   3      T13:   0.0054 T23:   0.0118                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3998 L22:   3.0283                                     
REMARK   3      L33:   7.3437 L12:  -0.6686                                     
REMARK   3      L13:   0.3177 L23:   4.6071                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0833 S12:   0.2067 S13:   0.3427                       
REMARK   3      S21:  -0.8056 S22:  -0.0804 S23:   0.0660                       
REMARK   3      S31:  -0.2821 S32:   0.1689 S33:   0.1682                       
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 187:197 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.6840   5.5335  25.1616              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2860 T22:   0.2430                                     
REMARK   3      T33:   0.2602 T12:   0.0264                                     
REMARK   3      T13:  -0.0014 T23:  -0.0249                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5164 L22:   4.0366                                     
REMARK   3      L33:   3.6019 L12:   1.3099                                     
REMARK   3      L13:   0.2541 L23:   2.1704                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0653 S12:  -0.1628 S13:   0.1555                       
REMARK   3      S21:  -0.1196 S22:  -0.1915 S23:   0.4141                       
REMARK   3      S31:  -0.5754 S32:  -0.5718 S33:   0.1842                       
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 198:206 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  16.8172  -0.3645  42.5957              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7102 T22:   0.3252                                     
REMARK   3      T33:   0.2811 T12:  -0.1259                                     
REMARK   3      T13:  -0.0257 T23:  -0.0353                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.2292 L22:   5.6738                                     
REMARK   3      L33:   1.9451 L12:  -0.1024                                     
REMARK   3      L13:   3.7166 L23:  -0.3865                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4613 S12:  -0.8331 S13:   0.3241                       
REMARK   3      S21:   1.3739 S22:  -0.6868 S23:   0.5759                       
REMARK   3      S31:  -0.7016 S32:  -0.4461 S33:   0.2730                       
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 207:217 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.5025   5.9746  38.0934              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5515 T22:   0.4342                                     
REMARK   3      T33:   0.3496 T12:   0.0338                                     
REMARK   3      T13:  -0.0019 T23:   0.0052                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.7788 L22:   7.4599                                     
REMARK   3      L33:   2.0211 L12:   0.9024                                     
REMARK   3      L13:   1.0200 L23:  -3.4936                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2101 S12:  -1.2213 S13:   0.0960                       
REMARK   3      S21:   1.2625 S22:   0.3949 S23:   0.2283                       
REMARK   3      S31:  -0.6916 S32:  -0.3940 S33:  -0.5793                       
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    SELECTION: ( CHAIN A AND RESID 301:301 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.4637 -14.2378  -6.8212              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5716 T22:   0.5563                                     
REMARK   3      T33:   0.4228 T12:  -0.0025                                     
REMARK   3      T13:  -0.1235 T23:  -0.1006                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2212 L22:   0.1342                                     
REMARK   3      L33:   0.3908 L12:  -0.0799                                     
REMARK   3      L13:  -0.2185 L23:   0.0070                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3769 S12:  -0.5288 S13:  -0.0957                       
REMARK   3      S21:   0.5305 S22:  -0.3395 S23:   0.4658                       
REMARK   3      S31:   0.3720 S32:  -0.9482 S33:  -0.0059                       
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    SELECTION: ( CHAIN B AND RESID 301:301 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.5258  -7.1079  42.7941              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5844 T22:   0.3759                                     
REMARK   3      T33:   0.3272 T12:  -0.0533                                     
REMARK   3      T13:  -0.0369 T23:  -0.0285                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7739 L22:   0.4383                                     
REMARK   3      L33:   0.1052 L12:   0.5406                                     
REMARK   3      L13:   0.0421 L23:  -0.0486                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1011 S12:  -0.2898 S13:   0.8341                       
REMARK   3      S21:   0.6898 S22:  -0.3403 S23:   0.2362                       
REMARK   3      S31:  -0.0542 S32:  -0.7068 S33:  -0.0045                       
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    SELECTION: ( CHAIN A AND RESID 302:302 )                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.4928   2.2717   1.0797              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3472 T22:   0.3737                                     
REMARK   3      T33:   0.4836 T12:   0.0338                                     
REMARK   3      T13:  -0.0052 T23:  -0.0150                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.6938 L22:   4.9126                                     
REMARK   3      L33:   3.8666 L12:   1.4668                                     
REMARK   3      L13:  -2.6406 L23:   3.1996                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0603 S12:   0.0274 S13:   0.5652                       
REMARK   3      S21:   0.2805 S22:  -0.0388 S23:   0.7272                       
REMARK   3      S31:   0.3161 S32:   0.4937 S33:   1.0783                       
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 4TPW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-JUN-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000201927.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-JUL-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 80                                 
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97919                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 54446                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 19.700                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 95.2                               
REMARK 200  DATA REDUNDANCY                : 2.700                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 21.5100                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.53                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.0                               
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: NULL                                                  
REMARK 200 STARTING MODEL: PDB ENTRY 1EJ1                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 39.64                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.04                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000 10-20%, 100MM MES PH 6.5, 10%   
REMARK 280  IPN, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K                
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       36.60000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A    27                                                      
REMARK 465     VAL A    28                                                      
REMARK 465     ALA A    29                                                      
REMARK 465     ASN A    30                                                      
REMARK 465     PRO A    31                                                      
REMARK 465     GLU A    32                                                      
REMARK 465     MET B    27                                                      
REMARK 465     VAL B    28                                                      
REMARK 465     ALA B    29                                                      
REMARK 465     ASN B    30                                                      
REMARK 465     PRO B    31                                                      
REMARK 465     GLU B    32                                                      
REMARK 465     HIS B    33                                                      
REMARK 465     TYR B    34                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   HH   TYR A    91     O    HOH A   564              1.54            
REMARK 500  HD22  ASN A   172     O    HOH A   503              1.57            
REMARK 500   O    HOH B   592     O    HOH B   636              1.80            
REMARK 500   O    HOH B   601     O    HOH B   631              1.84            
REMARK 500   O    HOH A   445     O    HOH A   456              1.85            
REMARK 500   O    HOH B   607     O    HOH B   627              1.87            
REMARK 500   O    HOH A   428     O    HOH A   575              1.90            
REMARK 500   O    HOH B   466     O    HOH B   475              1.95            
REMARK 500   O    HOH B   442     O    HOH B   448              1.96            
REMARK 500   O    HOH B   585     O    HOH B   587              1.96            
REMARK 500   O    HOH B   448     O    HOH B   561              2.02            
REMARK 500   O    HOH B   513     O    HOH B   638              2.03            
REMARK 500   O    HOH A   551     O    HOH A   552              2.03            
REMARK 500   O    HOH B   425     O    HOH B   449              2.05            
REMARK 500   OE1  GLU B   105     O    HOH B   401              2.05            
REMARK 500   OG1  THR B   116     O    HOH B   619              2.11            
REMARK 500   O    HOH B   614     O    HOH B   622              2.12            
REMARK 500   O3C  MGP A   301     O    HOH A   519              2.13            
REMARK 500   O    HOH A   499     O    HOH A   505              2.14            
REMARK 500   O    ILE B    35     O    HOH B   635              2.18            
REMARK 500   O1C  MGP A   301     O    HOH A   559              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH B   429     O    HOH B   452     1455     1.95            
REMARK 500   O    HOH A   456     O    HOH B   404     2545     1.99            
REMARK 500   O    HOH A   452     O    HOH A   458     2545     2.14            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASP A  51       95.45   -167.54                                   
REMARK 500    ASP A  67       18.56   -144.23                                   
REMARK 500    ASP A 125      -41.10   -148.61                                   
REMARK 500    ASP A 143     -131.99     55.21                                   
REMARK 500    LYS A 206     -119.79   -146.84                                   
REMARK 500    ASP B  67       21.44   -145.00                                   
REMARK 500    ASP B 143     -131.48     55.88                                   
REMARK 500    LYS B 206       99.15    -63.57                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH B 615        DISTANCE =  6.55 ANGSTROMS                       
REMARK 525    HOH B 642        DISTANCE =  7.04 ANGSTROMS                       
REMARK 525    HOH B 643        DISTANCE =  7.33 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue MGP A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 33R A 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue MGP B 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue MES B 302                 
DBREF  4TPW A   28   217  UNP    P06730   IF4E_HUMAN      28    217             
DBREF  4TPW B   28   217  UNP    P06730   IF4E_HUMAN      28    217             
SEQADV 4TPW MET A   27  UNP  P06730              INITIATING METHIONINE          
SEQADV 4TPW MET B   27  UNP  P06730              INITIATING METHIONINE          
SEQRES   1 A  191  MET VAL ALA ASN PRO GLU HIS TYR ILE LYS HIS PRO LEU          
SEQRES   2 A  191  GLN ASN ARG TRP ALA LEU TRP PHE PHE LYS ASN ASP LYS          
SEQRES   3 A  191  SER LYS THR TRP GLN ALA ASN LEU ARG LEU ILE SER LYS          
SEQRES   4 A  191  PHE ASP THR VAL GLU ASP PHE TRP ALA LEU TYR ASN HIS          
SEQRES   5 A  191  ILE GLN LEU SER SER ASN LEU MET PRO GLY CYS ASP TYR          
SEQRES   6 A  191  SER LEU PHE LYS ASP GLY ILE GLU PRO MET TRP GLU ASP          
SEQRES   7 A  191  GLU LYS ASN LYS ARG GLY GLY ARG TRP LEU ILE THR LEU          
SEQRES   8 A  191  ASN LYS GLN GLN ARG ARG SER ASP LEU ASP ARG PHE TRP          
SEQRES   9 A  191  LEU GLU THR LEU LEU CYS LEU ILE GLY GLU SER PHE ASP          
SEQRES  10 A  191  ASP TYR SER ASP ASP VAL CYS GLY ALA VAL VAL ASN VAL          
SEQRES  11 A  191  ARG ALA LYS GLY ASP LYS ILE ALA ILE TRP THR THR GLU          
SEQRES  12 A  191  CYS GLU ASN ARG GLU ALA VAL THR HIS ILE GLY ARG VAL          
SEQRES  13 A  191  TYR LYS GLU ARG LEU GLY LEU PRO PRO LYS ILE VAL ILE          
SEQRES  14 A  191  GLY TYR GLN SER HIS ALA ASP THR ALA THR LYS SER GLY          
SEQRES  15 A  191  SER THR THR LYS ASN ARG PHE VAL VAL                          
SEQRES   1 B  191  MET VAL ALA ASN PRO GLU HIS TYR ILE LYS HIS PRO LEU          
SEQRES   2 B  191  GLN ASN ARG TRP ALA LEU TRP PHE PHE LYS ASN ASP LYS          
SEQRES   3 B  191  SER LYS THR TRP GLN ALA ASN LEU ARG LEU ILE SER LYS          
SEQRES   4 B  191  PHE ASP THR VAL GLU ASP PHE TRP ALA LEU TYR ASN HIS          
SEQRES   5 B  191  ILE GLN LEU SER SER ASN LEU MET PRO GLY CYS ASP TYR          
SEQRES   6 B  191  SER LEU PHE LYS ASP GLY ILE GLU PRO MET TRP GLU ASP          
SEQRES   7 B  191  GLU LYS ASN LYS ARG GLY GLY ARG TRP LEU ILE THR LEU          
SEQRES   8 B  191  ASN LYS GLN GLN ARG ARG SER ASP LEU ASP ARG PHE TRP          
SEQRES   9 B  191  LEU GLU THR LEU LEU CYS LEU ILE GLY GLU SER PHE ASP          
SEQRES  10 B  191  ASP TYR SER ASP ASP VAL CYS GLY ALA VAL VAL ASN VAL          
SEQRES  11 B  191  ARG ALA LYS GLY ASP LYS ILE ALA ILE TRP THR THR GLU          
SEQRES  12 B  191  CYS GLU ASN ARG GLU ALA VAL THR HIS ILE GLY ARG VAL          
SEQRES  13 B  191  TYR LYS GLU ARG LEU GLY LEU PRO PRO LYS ILE VAL ILE          
SEQRES  14 B  191  GLY TYR GLN SER HIS ALA ASP THR ALA THR LYS SER GLY          
SEQRES  15 B  191  SER THR THR LYS ASN ARG PHE VAL VAL                          
HET    MGP  A 301      47                                                       
HET    33R  A 302      40                                                       
HET    MGP  B 301      47                                                       
HET    MES  B 302      24                                                       
HETNAM     MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE                               
HETNAM     33R (2E)-2-{2-[4-(3,4-DICHLOROPHENYL)-1,3-THIAZOL-2-                 
HETNAM   2 33R  YL]HYDRAZINYLIDENE}-3-(2-NITROPHENYL)PROPANOIC ACID             
HETNAM     MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID                             
FORMUL   3  MGP    2(C11 H19 N5 O14 P3 1+)                                      
FORMUL   4  33R    C18 H12 CL2 N4 O4 S                                          
FORMUL   6  MES    C6 H13 N O4 S                                                
FORMUL   7  HOH   *424(H2 O)                                                    
HELIX    1 AA1 THR A   55  ALA A   58  5                                   4    
HELIX    2 AA2 VAL A   69  SER A   83  1                                  15    
HELIX    3 AA3 ASN A  118  ARG A  123  5                                   6    
HELIX    4 AA4 ASP A  125  GLY A  139  1                                  15    
HELIX    5 AA5 PHE A  142  ASP A  147  5                                   6    
HELIX    6 AA6 ASN A  172  GLY A  188  1                                  17    
HELIX    7 AA7 HIS A  200  THR A  205  1                                   6    
HELIX    8 AA8 THR B   55  ALA B   58  5                                   4    
HELIX    9 AA9 VAL B   69  ASN B   77  1                                   9    
HELIX   10 AB1 LEU B   81  LEU B   85  5                                   5    
HELIX   11 AB2 ASN B  118  ASP B  125  1                                   8    
HELIX   12 AB3 ASP B  125  GLY B  139  1                                  15    
HELIX   13 AB4 PHE B  142  ASP B  147  5                                   6    
HELIX   14 AB5 ASN B  172  LEU B  187  1                                  16    
HELIX   15 AB6 HIS B  200  THR B  205  1                                   6    
SHEET    1 AA1 8 LEU A  60  THR A  68  0                                        
SHEET    2 AA1 8 PRO A  38  LYS A  49 -1  N  PHE A  47   O  ARG A  61           
SHEET    3 AA1 8 CYS A  89  LYS A  95 -1  O  SER A  92   N  TRP A  46           
SHEET    4 AA1 8 VAL A 149  ASN A 155 -1  O  VAL A 154   N  TYR A  91           
SHEET    5 AA1 8 LYS A 162  THR A 167 -1  O  TRP A 166   N  CYS A 150           
SHEET    6 AA1 8 GLY A 111  THR A 116 -1  N  ILE A 115   O  ILE A 163           
SHEET    7 AA1 8 GLY A 196  SER A 199 -1  O  GLN A 198   N  ARG A 112           
SHEET    8 AA1 8 PHE A 215  VAL A 216 -1  O  PHE A 215   N  TYR A 197           
SHEET    1 AA2 8 LEU B  60  THR B  68  0                                        
SHEET    2 AA2 8 PRO B  38  PHE B  48 -1  N  TRP B  43   O  PHE B  66           
SHEET    3 AA2 8 ASP B  90  LYS B  95 -1  O  SER B  92   N  TRP B  46           
SHEET    4 AA2 8 VAL B 149  ASN B 155 -1  O  VAL B 154   N  TYR B  91           
SHEET    5 AA2 8 LYS B 162  THR B 167 -1  O  TRP B 166   N  CYS B 150           
SHEET    6 AA2 8 GLY B 111  THR B 116 -1  N  ILE B 115   O  ILE B 163           
SHEET    7 AA2 8 GLY B 196  SER B 199 -1  O  GLY B 196   N  LEU B 114           
SHEET    8 AA2 8 PHE B 215  VAL B 216 -1  O  PHE B 215   N  TYR B 197           
SITE     1 AC1 16 TRP A  56  MET A 101  TRP A 102  GLU A 103                    
SITE     2 AC1 16 ARG A 157  LYS A 162  GLY A 208  HOH A 441                    
SITE     3 AC1 16 HOH A 487  HOH A 495  HOH A 498  HOH A 501                    
SITE     4 AC1 16 HOH A 519  HOH A 559  HOH A 561  THR B  55                    
SITE     1 AC2  8 PHE A  47  LYS A  49  ASN A  59  ARG A  61                    
SITE     2 AC2  8 ILE A  63  SER A  83  TYR A  91  HOH A 408                    
SITE     1 AC3 13 TRP B  56  MET B 101  TRP B 102  GLU B 103                    
SITE     2 AC3 13 ARG B 157  LYS B 162  HOH B 403  HOH B 506                    
SITE     3 AC3 13 HOH B 510  HOH B 513  HOH B 533  HOH B 536                    
SITE     4 AC3 13 HOH B 561                                                     
SITE     1 AC4 10 VAL A  69  LEU A 135  ARG A 186  HOH A 479                    
SITE     2 AC4 10 VAL B  69  TRP B  73  HOH B 411  HOH B 549                    
SITE     3 AC4 10 HOH B 598  HOH B 622                                          
CRYST1   39.340   73.200   65.720  90.00 106.25  90.00 P 1 21 1      4          
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      0.025419  0.000000  0.007409        0.00000                         
SCALE2      0.000000  0.013661  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.015849        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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