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Database: PDB
Entry: 4LPK
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Original site: 4LPK 
HEADER    SIGNALING PROTEIN                       16-JUL-13   4LPK              
TITLE     CRYSTAL STRUCTURE OF K-RAS WT, GDP-BOUND                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GTPASE KRAS;                                               
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 1-169;                                        
COMPND   5 SYNONYM: K-RAS 2, KI-RAS, C-K-RAS, C-KI-RAS, GTPASE KRAS, N-         
COMPND   6 TERMINALLY PROCESSED;                                                
COMPND   7 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: KRAS, KRAS ISOFORM 2B, KRAS2, RASK2;                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PJEXPRESS411                              
KEYWDS    GTPASE, GDP BOUND, SIGNALING PROTEIN                                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.M.OSTREM,U.PETERS,M.L.SOS,J.A.WELLS,K.M.SHOKAT                      
REVDAT   3   15-NOV-17 4LPK    1       REMARK                                   
REVDAT   2   18-DEC-13 4LPK    1       JRNL                                     
REVDAT   1   27-NOV-13 4LPK    0                                                
JRNL        AUTH   J.M.OSTREM,U.PETERS,M.L.SOS,J.A.WELLS,K.M.SHOKAT             
JRNL        TITL   K-RAS(G12C) INHIBITORS ALLOSTERICALLY CONTROL GTP AFFINITY   
JRNL        TITL 2 AND EFFECTOR INTERACTIONS.                                   
JRNL        REF    NATURE                        V. 503   548 2013              
JRNL        REFN                   ISSN 0028-0836                               
JRNL        PMID   24256730                                                     
JRNL        DOI    10.1038/NATURE12796                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX DEV_1402                                      
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 : TWIN_LSQ_F                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.96                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.980                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 51602                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.168                           
REMARK   3   R VALUE            (WORKING SET) : 0.158                           
REMARK   3   FREE R VALUE                     : 0.192                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 3.850                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1989                            
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 20.2457 -  3.6106    0.95     3541   135  0.1177 0.1585        
REMARK   3     2  3.6106 -  2.8685    0.96     3594   142  0.1355 0.1982        
REMARK   3     3  2.8685 -  2.5066    0.96     3621   139  0.1556 0.1841        
REMARK   3     4  2.5066 -  2.2778    0.96     3577   134  0.1706 0.1777        
REMARK   3     5  2.2778 -  2.1147    0.96     3627   148  0.1812 0.2011        
REMARK   3     6  2.1147 -  1.9901    0.95     3546   151  0.1940 0.2198        
REMARK   3     7  1.9901 -  1.8905    0.95     3563   135  0.1925 0.1966        
REMARK   3     8  1.8905 -  1.8083    0.94     3521   138  0.1961 0.2125        
REMARK   3     9  1.8083 -  1.7387    0.94     3519   144  0.2084 0.2403        
REMARK   3    10  1.7387 -  1.6788    0.94     3518   138  0.2185 0.2327        
REMARK   3    11  1.6788 -  1.6263    0.94     3564   134  0.2225 0.2236        
REMARK   3    12  1.6263 -  1.5798    0.94     3505   140  0.2368 0.2303        
REMARK   3    13  1.5798 -  1.5382    0.94     3496   140  0.2457 0.2797        
REMARK   3    14  1.5382 -  1.5007    0.88     3356   143  0.2684 0.2981        
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)     : NULL             
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.780           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 19.41                          
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: 0.4600                                                   
REMARK   3   OPERATOR: -H,-K,L                                                  
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.003           2660                                  
REMARK   3   ANGLE     :  0.695           3603                                  
REMARK   3   CHIRALITY :  0.038            406                                  
REMARK   3   PLANARITY :  0.002            458                                  
REMARK   3   DIHEDRAL  : 13.944            997                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 10                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 1 THROUGH 57 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  27.6099  -1.3505 -17.5030              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0911 T22:   0.1048                                     
REMARK   3      T33:   0.1531 T12:   0.0233                                     
REMARK   3      T13:  -0.0241 T23:  -0.0029                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6538 L22:   0.9754                                     
REMARK   3      L33:   1.7983 L12:   0.1351                                     
REMARK   3      L13:  -0.9960 L23:  -0.4137                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0146 S12:  -0.1900 S13:  -0.0000                       
REMARK   3      S21:   0.1133 S22:   0.0186 S23:  -0.0663                       
REMARK   3      S31:   0.0729 S32:   0.2177 S33:   0.0149                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 58 THROUGH 76 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  24.7554  10.1142 -12.7038              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1779 T22:   0.1529                                     
REMARK   3      T33:   0.2315 T12:   0.0157                                     
REMARK   3      T13:  -0.0253 T23:   0.0022                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.5087 L22:   6.5175                                     
REMARK   3      L33:   1.2030 L12:   6.4629                                     
REMARK   3      L13:  -2.6405 L23:  -2.7333                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3029 S12:  -0.6506 S13:   0.0361                       
REMARK   3      S21:   0.7233 S22:  -0.3577 S23:  -0.1423                       
REMARK   3      S31:  -0.1981 S32:   0.2494 S33:   0.0886                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 77 THROUGH 126 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  14.0203   5.7532 -23.7566              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0655 T22:   0.0628                                     
REMARK   3      T33:   0.1279 T12:   0.0108                                     
REMARK   3      T13:   0.0032 T23:   0.0149                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8499 L22:   2.8135                                     
REMARK   3      L33:   1.4309 L12:   0.9243                                     
REMARK   3      L13:   0.4671 L23:   0.9714                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0034 S12:  -0.0050 S13:  -0.0022                       
REMARK   3      S21:  -0.0451 S22:  -0.0051 S23:   0.0257                       
REMARK   3      S31:  -0.0403 S32:  -0.0755 S33:   0.0078                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 127 THROUGH 151 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  16.1765   1.3038 -31.4640              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0689 T22:   0.0715                                     
REMARK   3      T33:   0.1281 T12:  -0.0033                                     
REMARK   3      T13:  -0.0047 T23:  -0.0061                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1718 L22:   5.1637                                     
REMARK   3      L33:   1.4314 L12:  -1.7785                                     
REMARK   3      L13:   0.4402 L23:  -1.7405                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0347 S12:   0.0777 S13:   0.0047                       
REMARK   3      S21:  -0.2516 S22:  -0.0486 S23:  -0.0587                       
REMARK   3      S31:   0.1099 S32:  -0.0676 S33:   0.0021                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 152 THROUGH 166 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  29.0647   5.3839 -28.5725              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0757 T22:   0.1122                                     
REMARK   3      T33:   0.1581 T12:  -0.0031                                     
REMARK   3      T13:   0.0178 T23:  -0.0084                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7582 L22:   4.9538                                     
REMARK   3      L33:   2.9587 L12:   0.7329                                     
REMARK   3      L13:  -0.3411 L23:   0.9380                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1269 S12:   0.1055 S13:   0.0544                       
REMARK   3      S21:  -0.2491 S22:   0.2488 S23:  -0.2240                       
REMARK   3      S31:  -0.2065 S32:   0.1413 S33:  -0.0725                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 37 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  18.4602 -18.9974   4.1966              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0832 T22:   0.0743                                     
REMARK   3      T33:   0.1521 T12:   0.0167                                     
REMARK   3      T13:   0.0107 T23:  -0.0034                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9746 L22:   0.9893                                     
REMARK   3      L33:   1.7804 L12:  -0.2467                                     
REMARK   3      L13:   0.3700 L23:   0.1381                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0393 S12:   0.0236 S13:   0.0200                       
REMARK   3      S21:   0.0970 S22:  -0.0367 S23:   0.0997                       
REMARK   3      S31:  -0.0467 S32:  -0.0454 S33:   0.0236                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 38 THROUGH 74 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  12.7630 -26.3278   6.2119              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0835 T22:   0.0947                                     
REMARK   3      T33:   0.1405 T12:   0.0284                                     
REMARK   3      T13:   0.0243 T23:   0.0069                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9511 L22:   1.5665                                     
REMARK   3      L33:   2.8209 L12:  -0.4553                                     
REMARK   3      L13:   1.0211 L23:  -0.3074                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1514 S12:  -0.0651 S13:  -0.0713                       
REMARK   3      S21:   0.2066 S22:   0.0798 S23:  -0.0117                       
REMARK   3      S31:  -0.0810 S32:  -0.0833 S33:   0.0020                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 75 THROUGH 116 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  25.4581 -31.8024  -1.8835              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0844 T22:   0.0788                                     
REMARK   3      T33:   0.1826 T12:   0.0109                                     
REMARK   3      T13:  -0.0131 T23:  -0.0014                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3508 L22:   1.4995                                     
REMARK   3      L33:   1.1409 L12:   0.4886                                     
REMARK   3      L13:  -0.8468 L23:  -0.5702                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0071 S12:  -0.0636 S13:  -0.2318                       
REMARK   3      S21:  -0.0254 S22:  -0.0306 S23:  -0.0916                       
REMARK   3      S31:   0.1210 S32:  -0.0054 S33:   0.0147                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 117 THROUGH 151 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  28.2918 -21.9547 -10.0438              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0962 T22:   0.1039                                     
REMARK   3      T33:   0.1417 T12:   0.0071                                     
REMARK   3      T13:   0.0206 T23:   0.0030                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3361 L22:   2.5224                                     
REMARK   3      L33:   1.0198 L12:   0.7827                                     
REMARK   3      L13:   0.5251 L23:   0.4002                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0234 S12:   0.2403 S13:   0.0323                       
REMARK   3      S21:  -0.2505 S22:   0.1108 S23:  -0.2397                       
REMARK   3      S31:  -0.0340 S32:   0.1115 S33:  -0.0650                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 152 THROUGH 166 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  12.8189 -26.5484  -8.3321              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0752 T22:   0.1109                                     
REMARK   3      T33:   0.1536 T12:   0.0149                                     
REMARK   3      T13:  -0.0255 T23:  -0.0028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3442 L22:   2.4369                                     
REMARK   3      L33:   2.0814 L12:   0.5080                                     
REMARK   3      L13:   0.5809 L23:   0.5559                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0063 S12:   0.1141 S13:   0.0318                       
REMARK   3      S21:  -0.2292 S22:  -0.0476 S23:   0.3675                       
REMARK   3      S31:   0.0237 S32:  -0.0677 S33:   0.0088                       
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 4LPK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-AUG-13.                  
REMARK 100 THE DEPOSITION ID IS D_1000080925.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 07-MAR-10                          
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               : ALS                                
REMARK 200  BEAMLINE                       : 8.3.1                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.1159                             
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL, SI(111)            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000                    
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK, HKL-2000                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 51602                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 25.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.3                               
REMARK 200  DATA REDUNDANCY                : 3.000                              
REMARK 200  R MERGE                    (I) : 0.05000                            
REMARK 200  R SYM                      (I) : 0.05000                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 19.8630                            
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     (%) : 92.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.30                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.28900                            
REMARK 200  R SYM FOR SHELL            (I) : 0.28900                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.702                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER 2.2.4                                          
REMARK 200 STARTING MODEL: PDB ENTRY 3GFT                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 43.81                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.19                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 19% PEG3350, 0.2M CACL2, PH 7.5, VAPOR   
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 3                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375 NA    NA B 203  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 308  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 319  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 408  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH B 304  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH B 389  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH B 435  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH B 443  LIES ON A SPECIAL POSITION.                          
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A     0                                                      
REMARK 465     GLN A    61                                                      
REMARK 465     GLU A    62                                                      
REMARK 465     GLU A    63                                                      
REMARK 465     TYR A    64                                                      
REMARK 465     SER A    65                                                      
REMARK 465     ALA A    66                                                      
REMARK 465     MET A    67                                                      
REMARK 465     ARG A    68                                                      
REMARK 465     ASP A    69                                                      
REMARK 465     GLN A    70                                                      
REMARK 465     LYS A   167                                                      
REMARK 465     GLU A   168                                                      
REMARK 465     LYS A   169                                                      
REMARK 465     GLY B     0                                                      
REMARK 465     LYS B   167                                                      
REMARK 465     GLU B   168                                                      
REMARK 465     LYS B   169                                                      
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     GLU A  31    CG   CD   OE1  OE2                                  
REMARK 470     PRO A  34    CB   CG                                             
REMARK 470     PRO B  34    CB   CG                                             
REMARK 470     GLN B  99    CG   CD   OE1  NE2                                  
REMARK 470     ARG B 102    NE   CZ   NH1  NH2                                  
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  HE21  GLN B    70     O    HOH B   414              1.49            
REMARK 500  HH21  ARG A   135     O    HOH A   436              1.56            
REMARK 500   O    HOH A   475     O    HOH A   478              1.83            
REMARK 500   O    HOH A   464     O    HOH A   468              1.84            
REMARK 500   O    HOH B   466     O    HOH B   467              1.93            
REMARK 500   O    HOH A   388     O    HOH A   407              1.95            
REMARK 500   O    HOH B   427     O    HOH B   458              1.95            
REMARK 500   NH2  ARG A   135     O    HOH A   436              1.97            
REMARK 500   O    HOH B   445     O    HOH B   457              2.00            
REMARK 500   O    HOH A   333     O    HOH A   372              2.00            
REMARK 500   O    ARG B   164     O    HOH B   463              2.01            
REMARK 500   O    HOH A   376     O    HOH A   412              2.04            
REMARK 500   O    HOH A   452     O    HOH B   448              2.07            
REMARK 500   OE1  GLU B    62     O    HOH B   506              2.08            
REMARK 500   O    HOH B   397     O    HOH B   479              2.08            
REMARK 500   O    HOH A   394     O    HOH A   398              2.14            
REMARK 500   O    HOH A   423     O    HOH A   439              2.14            
REMARK 500   O    HOH B   452     O    HOH B   479              2.15            
REMARK 500   O    HOH A   395     O    HOH A   397              2.15            
REMARK 500   O    HOH B   456     O    HOH B   508              2.15            
REMARK 500   O    HOH B   437     O    HOH B   497              2.16            
REMARK 500   O    HOH B   453     O    HOH B   459              2.17            
REMARK 500   O    HOH A   376     O    HOH A   399              2.17            
REMARK 500   OE1  GLN B   150     O    HOH B   383              2.18            
REMARK 500   OD1  ASP A    54     O    HOH A   385              2.19            
REMARK 500   O    HOH A   345     O    HOH A   444              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   378     O    HOH B   405     3655     1.92            
REMARK 500   O    HOH B   430     O    HOH B   440     1554     2.17            
REMARK 500   O    HOH A   421     O    HOH B   395     1554     2.18            
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    ARG A 149       -3.48     80.74                                   
REMARK 500    SER B 122       53.89    -92.78                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA B 202  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH B 310   O                                                      
REMARK 620 2 HOH B 307   O    87.8                                              
REMARK 620 3 SER B  17   OG   95.6 174.8                                        
REMARK 620 4 HOH B 312   O    90.8  96.1  87.8                                  
REMARK 620 5 HOH B 309   O    99.2  91.7  83.9 167.6                            
REMARK 620 6 GDP B 201   O1B 170.0  91.6  85.7  79.3  90.8                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              NA B 203  NA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH B 337   O                                                      
REMARK 620 2 HOH B 370   O    74.9                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A 202  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP A 201   O3B                                                    
REMARK 620 2 HOH A 306   O   172.8                                              
REMARK 620 3 SER A  17   OG   86.9  86.1                                        
REMARK 620 4 HOH A 302   O    80.3  98.1  89.4                                  
REMARK 620 5 HOH A 305   O    85.9  94.8  84.0 165.0                            
REMARK 620 6 HOH A 322   O    89.3  97.6 173.2  84.4 101.3                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              NA A 203  NA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU A  37   OE1                                                    
REMARK 620 2 HOH A 321   O   150.4                                              
REMARK 620 3 ALA A  59   O    83.5 124.2                                        
REMARK 620 4 HOH A 363   O   113.3  70.8  73.0                                  
REMARK 620 5 HOH A 328   O    75.9  74.8 144.4  88.8                            
REMARK 620 N                    1     2     3     4                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 202                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 203                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP B 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B 202                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 203                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4L8G   RELATED DB: PDB                                   
REMARK 900 RELATED MUTANT OF PROTEIN                                            
REMARK 900 RELATED ID: 4L9W   RELATED DB: PDB                                   
REMARK 900 MUTANT IN RELATED PROTEIN                                            
REMARK 900 RELATED ID: 4L9S   RELATED DB: PDB                                   
REMARK 900 MUTANT IN RELATED PROTEIN                                            
REMARK 900 RELATED ID: 4LRW   RELATED DB: PDB                                   
REMARK 900 PROTEIN WITHOUT COMPOUND BOUND                                       
REMARK 900 RELATED ID: 4LUC   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4LV6   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4LYF   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4LYH   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4LYJ   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4M1O   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4M1S   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4M1T   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4M1W   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4M1Y   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4M21   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 900 RELATED ID: 4M22   RELATED DB: PDB                                   
REMARK 900 RELATED COMPOUND BOUND TO PROTEIN                                    
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE SEQUENCE IN THE STRUCTURE REPRESENTS ISOFORM 2B OF GTPASE KRAS.  
REMARK 999 THIS ISOFORM DIFFERS FROM THE CANONICAL SEQUENCE AS FOLLOW: 151-153  
REMARK 999 (RVE TO GVD) AND 165-169 (QYRLK TO KHKEK)                            
DBREF  4LPK A    1   169  UNP    P01116   RASK_HUMAN       1    169             
DBREF  4LPK B    1   169  UNP    P01116   RASK_HUMAN       1    169             
SEQADV 4LPK GLY A    0  UNP  P01116              EXPRESSION TAG                 
SEQADV 4LPK GLY A  151  UNP  P01116    ARG   151 SEE REMARK 999                 
SEQADV 4LPK ASP A  153  UNP  P01116    GLU   153 SEE REMARK 999                 
SEQADV 4LPK LYS A  165  UNP  P01116    GLN   165 SEE REMARK 999                 
SEQADV 4LPK HIS A  166  UNP  P01116    TYR   166 SEE REMARK 999                 
SEQADV 4LPK LYS A  167  UNP  P01116    ARG   167 SEE REMARK 999                 
SEQADV 4LPK GLU A  168  UNP  P01116    LEU   168 SEE REMARK 999                 
SEQADV 4LPK GLY B    0  UNP  P01116              EXPRESSION TAG                 
SEQADV 4LPK GLY B  151  UNP  P01116    ARG   151 SEE REMARK 999                 
SEQADV 4LPK ASP B  153  UNP  P01116    GLU   153 SEE REMARK 999                 
SEQADV 4LPK LYS B  165  UNP  P01116    GLN   165 SEE REMARK 999                 
SEQADV 4LPK HIS B  166  UNP  P01116    TYR   166 SEE REMARK 999                 
SEQADV 4LPK LYS B  167  UNP  P01116    ARG   167 SEE REMARK 999                 
SEQADV 4LPK GLU B  168  UNP  P01116    LEU   168 SEE REMARK 999                 
SEQRES   1 A  170  GLY MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY          
SEQRES   2 A  170  GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN          
SEQRES   3 A  170  ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP          
SEQRES   4 A  170  SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS          
SEQRES   5 A  170  LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR          
SEQRES   6 A  170  SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY          
SEQRES   7 A  170  PHE LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE          
SEQRES   8 A  170  GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL          
SEQRES   9 A  170  LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN          
SEQRES  10 A  170  LYS CYS ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN          
SEQRES  11 A  170  ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE          
SEQRES  12 A  170  GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA          
SEQRES  13 A  170  PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS GLU          
SEQRES  14 A  170  LYS                                                          
SEQRES   1 B  170  GLY MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY          
SEQRES   2 B  170  GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN          
SEQRES   3 B  170  ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP          
SEQRES   4 B  170  SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS          
SEQRES   5 B  170  LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR          
SEQRES   6 B  170  SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY          
SEQRES   7 B  170  PHE LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE          
SEQRES   8 B  170  GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL          
SEQRES   9 B  170  LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN          
SEQRES  10 B  170  LYS CYS ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN          
SEQRES  11 B  170  ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE          
SEQRES  12 B  170  GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA          
SEQRES  13 B  170  PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS GLU          
SEQRES  14 B  170  LYS                                                          
HET    GDP  A 201      40                                                       
HET     CA  A 202       1                                                       
HET     NA  A 203       1                                                       
HET    GDP  B 201      40                                                       
HET     CA  B 202       1                                                       
HET     NA  B 203       1                                                       
HETNAM     GDP GUANOSINE-5'-DIPHOSPHATE                                         
HETNAM      CA CALCIUM ION                                                      
HETNAM      NA SODIUM ION                                                       
FORMUL   3  GDP    2(C10 H15 N5 O11 P2)                                         
FORMUL   4   CA    2(CA 2+)                                                     
FORMUL   5   NA    2(NA 1+)                                                     
FORMUL   9  HOH   *389(H2 O)                                                    
HELIX    1   1 GLY A   15  ASN A   26  1                                  12    
HELIX    2   2 ASN A   86  ASP A   92  1                                   7    
HELIX    3   3 ASP A   92  ASP A  105  1                                  14    
HELIX    4   4 ASP A  126  GLY A  138  1                                  13    
HELIX    5   5 GLY A  151  HIS A  166  1                                  16    
HELIX    6   6 GLY B   15  ASN B   26  1                                  12    
HELIX    7   7 SER B   65  GLY B   75  1                                  11    
HELIX    8   8 ASN B   86  ASP B   92  1                                   7    
HELIX    9   9 ASP B   92  ASP B  105  1                                  14    
HELIX   10  10 ASP B  126  GLY B  138  1                                  13    
HELIX   11  11 GLY B  151  HIS B  166  1                                  16    
SHEET    1   A 6 ASP A  38  ILE A  46  0                                        
SHEET    2   A 6 GLU A  49  ASP A  57 -1  O  GLU A  49   N  ILE A  46           
SHEET    3   A 6 THR A   2  GLY A  10  1  N  LEU A   6   O  LEU A  56           
SHEET    4   A 6 GLY A  77  ALA A  83  1  O  LEU A  79   N  VAL A   9           
SHEET    5   A 6 MET A 111  ASN A 116  1  O  ASN A 116   N  PHE A  82           
SHEET    6   A 6 PHE A 141  GLU A 143  1  O  ILE A 142   N  LEU A 113           
SHEET    1   B 6 ASP B  38  ILE B  46  0                                        
SHEET    2   B 6 GLU B  49  ASP B  57 -1  O  CYS B  51   N  VAL B  44           
SHEET    3   B 6 THR B   2  GLY B  10  1  N  VAL B   8   O  LEU B  56           
SHEET    4   B 6 GLY B  77  ALA B  83  1  O  LEU B  79   N  VAL B   9           
SHEET    5   B 6 MET B 111  ASN B 116  1  O  ASN B 116   N  PHE B  82           
SHEET    6   B 6 PHE B 141  GLU B 143  1  O  ILE B 142   N  LEU B 113           
LINK        CA    CA B 202                 O   HOH B 310     1555   1555  2.23  
LINK        CA    CA B 202                 O   HOH B 307     1555   1555  2.30  
LINK        NA    NA B 203                 O   HOH B 337     1555   1555  2.31  
LINK         OG  SER B  17                CA    CA B 202     1555   1555  2.36  
LINK         O3B GDP A 201                CA    CA A 202     1555   1555  2.37  
LINK        CA    CA A 202                 O   HOH A 306     1555   1555  2.37  
LINK        CA    CA B 202                 O   HOH B 312     1555   1555  2.38  
LINK         OG  SER A  17                CA    CA A 202     1555   1555  2.42  
LINK        CA    CA B 202                 O   HOH B 309     1555   1555  2.42  
LINK         O1B GDP B 201                CA    CA B 202     1555   1555  2.42  
LINK         OE1 GLU A  37                NA    NA A 203     1555   1555  2.43  
LINK        CA    CA A 202                 O   HOH A 302     1555   1555  2.44  
LINK        NA    NA A 203                 O   HOH A 321     1555   1555  2.45  
LINK         O   ALA A  59                NA    NA A 203     1555   1555  2.45  
LINK        NA    NA A 203                 O   HOH A 363     1555   1555  2.45  
LINK        NA    NA A 203                 O   HOH A 328     1555   1555  2.48  
LINK        NA    NA B 203                 O   HOH B 370     1555   1555  2.51  
LINK        CA    CA A 202                 O   HOH A 305     1555   1555  2.51  
LINK        CA    CA A 202                 O   HOH A 322     1555   1555  2.54  
SITE     1 AC1 23 GLY A  13  VAL A  14  GLY A  15  LYS A  16                    
SITE     2 AC1 23 SER A  17  ALA A  18  PHE A  28  VAL A  29                    
SITE     3 AC1 23 ASP A  30  ASN A 116  LYS A 117  ASP A 119                    
SITE     4 AC1 23 LEU A 120  SER A 145  ALA A 146  LYS A 147                    
SITE     5 AC1 23  CA A 202  HOH A 302  HOH A 315  HOH A 322                    
SITE     6 AC1 23 HOH A 341  HOH A 353  HOH A 392                               
SITE     1 AC2  6 SER A  17  GDP A 201  HOH A 302  HOH A 305                    
SITE     2 AC2  6 HOH A 306  HOH A 322                                          
SITE     1 AC3  5 GLU A  37  ALA A  59  HOH A 321  HOH A 328                    
SITE     2 AC3  5 HOH A 363                                                     
SITE     1 AC4 25 GLY B  12  GLY B  13  VAL B  14  GLY B  15                    
SITE     2 AC4 25 LYS B  16  SER B  17  ALA B  18  PHE B  28                    
SITE     3 AC4 25 VAL B  29  ASP B  30  ASN B 116  LYS B 117                    
SITE     4 AC4 25 ASP B 119  LEU B 120  SER B 145  ALA B 146                    
SITE     5 AC4 25 LYS B 147   CA B 202  HOH B 307  HOH B 312                    
SITE     6 AC4 25 HOH B 313  HOH B 349  HOH B 361  HOH B 367                    
SITE     7 AC4 25 HOH B 379                                                     
SITE     1 AC5  6 SER B  17  GDP B 201  HOH B 307  HOH B 309                    
SITE     2 AC5  6 HOH B 310  HOH B 312                                          
SITE     1 AC6  2 HOH B 337  HOH B 370                                          
CRYST1   84.282   84.282   41.267  90.00  90.00 120.00 P 3           6          
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      0.011865  0.006850  0.000000        0.00000                         
SCALE2      0.000000  0.013700  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.024232        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system