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Database: PDB
Entry: 3PK1
LinkDB: 3PK1
Original site: 3PK1 
HEADER    APOPTOSIS/APOPTOSIS REGULATOR           11-NOV-10   3PK1              
TITLE     CRYSTAL STRUCTURE OF MCL-1 IN COMPLEX WITH THE BAXBH3 DOMAIN          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL- 
COMPND   3 1;                                                                   
COMPND   4 CHAIN: A, C;                                                         
COMPND   5 FRAGMENT: MCL-1 BCL-2 LIKE REGION, UNP RESIDUES 174-326;             
COMPND   6 SYNONYM: BCL-2-LIKE PROTEIN 3, BCL2-L-3, BCL-2-RELATED PROTEIN       
COMPND   7 EAT/MCL1, MCL1/EAT;                                                  
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: APOPTOSIS REGULATOR BAX;                                   
COMPND  11 CHAIN: B, D;                                                         
COMPND  12 FRAGMENT: BH3 DOMAIN, UNP RESIDUES 48-81;                            
COMPND  13 SYNONYM: BCL-2-LIKE PROTEIN 4, BCL2-L-4;                             
COMPND  14 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: MCL1, BCL2L3;                                                  
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 OTHER_DETAILS: SYNTHESIZED PEPTIDE                                   
KEYWDS    BCL-2 FAMILY FOLD, REGULATION OF APOPTOSIS, BAX, MITOCHONDRIA,        
KEYWDS   2 APOPTOSIS-APOPTOSIS REGULATOR COMPLEX                                
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    P.E.CZABOTAR,P.M.COLMAN                                               
REVDAT   2   22-JAN-14 3PK1    1       JRNL   VERSN                             
REVDAT   1   29-DEC-10 3PK1    0                                                
JRNL        AUTH   P.E.CZABOTAR,E.F.LEE,G.V.THOMPSON,A.Z.WARDAK,W.D.FAIRLIE,    
JRNL        AUTH 2 P.M.COLMAN                                                   
JRNL        TITL   MUTATION TO BAX BEYOND THE BH3 DOMAIN DISRUPTS INTERACTIONS  
JRNL        TITL 2 WITH PRO-SURVIVAL PROTEINS AND PROMOTES APOPTOSIS            
JRNL        REF    J.BIOL.CHEM.                  V. 286  7123 2011              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   21199865                                                     
JRNL        DOI    10.1074/JBC.M110.161281                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.49 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.4_486)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : TWIN_LSQ_F                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.49                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.14                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 13062                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.213                           
REMARK   3   R VALUE            (WORKING SET) : 0.212                           
REMARK   3   FREE R VALUE                     : 0.245                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.140                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 671                             
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 18.6250 -  3.9411    0.94     3168   183  0.1710 0.2054        
REMARK   3     2  3.9411 -  3.1330    0.95     3127   168  0.2086 0.2298        
REMARK   3     3  3.1330 -  2.7384    0.95     3137   149  0.2776 0.3379        
REMARK   3     4  2.7384 -  2.4887    0.90     2959   152  0.3134 0.3583        
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              : 0.35                                          
REMARK   3   B_SOL              : 61.21                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : NULL             
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 42.400           
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) : 9.54450                                              
REMARK   3    B22 (A**2) : -11.03880                                            
REMARK   3    B33 (A**2) : 1.49430                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 23.77260                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: 0.1540                                                   
REMARK   3   OPERATOR: H+2*L,-K,-L                                              
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.008           2707                                  
REMARK   3   ANGLE     :  1.101           3627                                  
REMARK   3   CHIRALITY :  0.067            413                                  
REMARK   3   PLANARITY :  0.003            457                                  
REMARK   3   DIHEDRAL  : 16.400           1027                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 4                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN A                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  17.2162 -45.8321  -2.5905              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3547 T22:   0.3451                                     
REMARK   3      T33:   0.4216 T12:   0.0314                                     
REMARK   3      T13:  -0.0030 T23:  -0.0047                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.2368 L22:   1.0978                                     
REMARK   3      L33:   1.3952 L12:   0.0926                                     
REMARK   3      L13:  -0.1744 L23:   0.2443                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0125 S12:  -0.1189 S13:  -0.0180                       
REMARK   3      S21:  -0.0857 S22:  -0.1744 S23:   0.1829                       
REMARK   3      S31:  -0.0898 S32:  -0.0086 S33:   0.0000                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN B                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  22.6665 -52.5093   9.2911              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3402 T22:   0.3886                                     
REMARK   3      T33:   0.3130 T12:  -0.0006                                     
REMARK   3      T13:   0.0275 T23:  -0.0026                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0689 L22:   0.0135                                     
REMARK   3      L33:   0.2637 L12:  -0.0199                                     
REMARK   3      L13:   0.2031 L23:  -0.1305                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1193 S12:   0.0040 S13:  -0.2361                       
REMARK   3      S21:   0.2739 S22:  -0.0961 S23:  -0.5032                       
REMARK   3      S31:   0.2869 S32:  -0.0557 S33:   0.0002                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN C                                                
REMARK   3    ORIGIN FOR THE GROUP (A):   3.3922 -21.8898  18.5031              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3644 T22:   0.3655                                     
REMARK   3      T33:   0.3590 T12:   0.0173                                     
REMARK   3      T13:  -0.0289 T23:  -0.0244                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7281 L22:   0.9404                                     
REMARK   3      L33:   0.4539 L12:   0.0888                                     
REMARK   3      L13:  -1.2564 L23:   0.6271                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1233 S12:   0.1068 S13:  -0.1156                       
REMARK   3      S21:   0.0480 S22:  -0.0937 S23:   0.2441                       
REMARK   3      S31:  -0.1697 S32:  -0.0060 S33:   0.0000                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN D                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  16.4056 -15.3738  18.9866              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4078 T22:   0.3949                                     
REMARK   3      T33:   0.3910 T12:  -0.0252                                     
REMARK   3      T13:   0.0205 T23:  -0.0272                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1743 L22:   0.0172                                     
REMARK   3      L33:   0.0659 L12:  -0.0986                                     
REMARK   3      L13:  -0.1684 L23:  -0.0613                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1682 S12:   0.1755 S13:  -0.0123                       
REMARK   3      S21:   0.6728 S22:   0.0438 S23:  -0.1774                       
REMARK   3      S31:  -0.1453 S32:  -0.1747 S33:  -0.0000                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : 2                                           
REMARK   3   NCS GROUP : 1                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: chain A and (resseq 173:192 or resseq       
REMARK   3                          205:321 )                                   
REMARK   3     SELECTION          : chain C and (resseq 173:192 or resseq       
REMARK   3                          205:321 )                                   
REMARK   3     ATOM PAIRS NUMBER  : 1114                                        
REMARK   3     RMSD               : 0.061                                       
REMARK   3   NCS GROUP : 2                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: chain B and (resseq 54:80 )                 
REMARK   3     SELECTION          : chain D and (resseq 54:80 )                 
REMARK   3     ATOM PAIRS NUMBER  : 213                                         
REMARK   3     RMSD               : 0.027                                       
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3PK1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 25-NOV-10.                  
REMARK 100 THE RCSB ID CODE IS RCSB062466.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 26-FEB-08                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : AUSTRALIAN SYNCHROTRON             
REMARK 200  BEAMLINE                       : MX1                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.95364                            
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL MONOCHROMATOR       
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 210                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13065                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.486                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.6                               
REMARK 200  DATA REDUNDANCY                : 5.800                              
REMARK 200  R MERGE                    (I) : 0.10500                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 17.1300                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.59                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 94.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.90                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.64100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.350                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 2NL9                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 35.32                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.90                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1M SODIUM ACETATE, 0.1M HEPES, 25MM      
REMARK 280  CADMIUM SULFATE, 5MM TCEP, PH 7.0, VAPOR DIFFUSION, HANGING DROP,   
REMARK 280  TEMPERATURE 293K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z                                           
REMARK 290       4555   -X+1/2,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        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       48.96150            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       40.73450            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       48.96150            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       40.73450            
REMARK 290   SMTRY3   4  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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1810 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9050 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1810 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 8930 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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   138                                                      
REMARK 465     SER A   139                                                      
REMARK 465     GLY A   140                                                      
REMARK 465     MET A   141                                                      
REMARK 465     LYS A   142                                                      
REMARK 465     GLU A   143                                                      
REMARK 465     THR A   144                                                      
REMARK 465     ALA A   145                                                      
REMARK 465     ALA A   146                                                      
REMARK 465     ALA A   147                                                      
REMARK 465     LYS A   148                                                      
REMARK 465     PHE A   149                                                      
REMARK 465     GLU A   150                                                      
REMARK 465     ARG A   151                                                      
REMARK 465     GLN A   152                                                      
REMARK 465     HIS A   153                                                      
REMARK 465     MET A   154                                                      
REMARK 465     ASP A   155                                                      
REMARK 465     SER A   156                                                      
REMARK 465     PRO A   157                                                      
REMARK 465     ASP A   158                                                      
REMARK 465     LEU A   159                                                      
REMARK 465     GLY A   160                                                      
REMARK 465     THR A   161                                                      
REMARK 465     ASP A   162                                                      
REMARK 465     ASP A   163                                                      
REMARK 465     ASP A   164                                                      
REMARK 465     ASP A   165                                                      
REMARK 465     LYS A   166                                                      
REMARK 465     ALA A   167                                                      
REMARK 465     MET A   168                                                      
REMARK 465     ALA A   169                                                      
REMARK 465     ASP A   170                                                      
REMARK 465     ILE A   171                                                      
REMARK 465     GLY A   172                                                      
REMARK 465     ASP A   195                                                      
REMARK 465     THR A   196                                                      
REMARK 465     LYS A   197                                                      
REMARK 465     PRO A   198                                                      
REMARK 465     MET A   199                                                      
REMARK 465     GLY A   200                                                      
REMARK 465     ARG A   201                                                      
REMARK 465     SER A   202                                                      
REMARK 465     GLY A   203                                                      
REMARK 465     GLU A   322                                                      
REMARK 465     ASP A   323                                                      
REMARK 465     LEU A   324                                                      
REMARK 465     GLU A   325                                                      
REMARK 465     GLY A   326                                                      
REMARK 465     ASP B    48                                                      
REMARK 465     PRO B    49                                                      
REMARK 465     VAL B    50                                                      
REMARK 465     PRO B    51                                                      
REMARK 465     GLN B    52                                                      
REMARK 465     ASP B    53                                                      
REMARK 465     ALA B    81                                                      
REMARK 465     GLY C   138                                                      
REMARK 465     SER C   139                                                      
REMARK 465     GLY C   140                                                      
REMARK 465     MET C   141                                                      
REMARK 465     LYS C   142                                                      
REMARK 465     GLU C   143                                                      
REMARK 465     THR C   144                                                      
REMARK 465     ALA C   145                                                      
REMARK 465     ALA C   146                                                      
REMARK 465     ALA C   147                                                      
REMARK 465     LYS C   148                                                      
REMARK 465     PHE C   149                                                      
REMARK 465     GLU C   150                                                      
REMARK 465     ARG C   151                                                      
REMARK 465     GLN C   152                                                      
REMARK 465     HIS C   153                                                      
REMARK 465     MET C   154                                                      
REMARK 465     ASP C   155                                                      
REMARK 465     SER C   156                                                      
REMARK 465     PRO C   157                                                      
REMARK 465     ASP C   158                                                      
REMARK 465     LEU C   159                                                      
REMARK 465     GLY C   160                                                      
REMARK 465     THR C   161                                                      
REMARK 465     ASP C   162                                                      
REMARK 465     ASP C   163                                                      
REMARK 465     ASP C   164                                                      
REMARK 465     ASP C   165                                                      
REMARK 465     LYS C   166                                                      
REMARK 465     ALA C   167                                                      
REMARK 465     MET C   168                                                      
REMARK 465     ALA C   169                                                      
REMARK 465     ASP C   170                                                      
REMARK 465     ILE C   171                                                      
REMARK 465     GLY C   172                                                      
REMARK 465     ALA C   193                                                      
REMARK 465     LYS C   194                                                      
REMARK 465     ASP C   195                                                      
REMARK 465     THR C   196                                                      
REMARK 465     LYS C   197                                                      
REMARK 465     PRO C   198                                                      
REMARK 465     MET C   199                                                      
REMARK 465     GLY C   200                                                      
REMARK 465     ARG C   201                                                      
REMARK 465     SER C   202                                                      
REMARK 465     GLY C   203                                                      
REMARK 465     ALA C   204                                                      
REMARK 465     GLU C   322                                                      
REMARK 465     ASP C   323                                                      
REMARK 465     LEU C   324                                                      
REMARK 465     GLU C   325                                                      
REMARK 465     GLY C   326                                                      
REMARK 465     ASP D    48                                                      
REMARK 465     PRO D    49                                                      
REMARK 465     VAL D    50                                                      
REMARK 465     PRO D    51                                                      
REMARK 465     GLN D    52                                                      
REMARK 465     ASP D    53                                                      
REMARK 465     ALA D    81                                                      
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     ARG A  176   CD   NE   CZ   NH1  NH2                             
REMARK 480     GLU A  211   CB   CG   CD   OE1  OE2                             
REMARK 480     ARG A  233   NH1  NH2                                            
REMARK 480     LYS A  238   CD   CE   NZ                                        
REMARK 480     LYS A  244   CB   CG   CD   CE   NZ                              
REMARK 480     ARG A  248   CZ   NH1  NH2                                       
REMARK 480     LYS A  276   NZ                                                  
REMARK 480     GLN A  283   CG   CD   OE1  NE2                                  
REMARK 480     GLU A  284   CB   CG   CD   OE1  OE2                             
REMARK 480     GLU A  292   CD   OE1  OE2                                       
REMARK 480     LYS A  308   CG   CD   CE   NZ                                   
REMARK 480     GLU A  317   CD   OE1  OE2                                       
REMARK 480     HIS A  320   ND1  CD2  CE1  NE2                                  
REMARK 480     LYS B   57   CB   CG   CD   CE   NZ                              
REMARK 480     LYS B   58   CG   CD   CE   NZ                                   
REMARK 480     GLU B   61   CD   OE1  OE2                                       
REMARK 480     LYS B   64   CE   NZ                                             
REMARK 480     ARG B   65   CD   NE   CZ   NH1  NH2                             
REMARK 480     ARG B   78   CZ   NH1  NH2                                       
REMARK 480     MET B   79   SD   CE                                             
REMARK 480     ARG C  176   NE   CZ   NH1  NH2                                  
REMARK 480     GLU C  180   CG   CD   OE1  OE2                                  
REMARK 480     ARG C  184   CG   CD   NE   CZ   NH1  NH2                        
REMARK 480     ARG C  187   CG   CD   NE   CZ   NH1  NH2                        
REMARK 480     THR C  191   CB   OG1  CG2                                       
REMARK 480     ARG C  207   CG   CD   NE   CZ   NH1  NH2                        
REMARK 480     LYS C  208   CD   CE   NZ                                        
REMARK 480     GLU C  211   OE1  OE2                                            
REMARK 480     ARG C  233   NH1  NH2                                            
REMARK 480     LYS C  234   CG   CD   CE   NZ                                   
REMARK 480     LYS C  238   CG   CD   CE   NZ                                   
REMARK 480     LYS C  244   CG   CD   CE   NZ                                   
REMARK 480     THR C  280   OG1  CG2                                            
REMARK 480     GLN C  283   OE1  NE2                                            
REMARK 480     GLU C  288   CD   OE1  OE2                                       
REMARK 480     ARG C  303   CD   NE   CZ   NH1  NH2                             
REMARK 480     LYS C  308   CD   CE   NZ                                        
REMARK 480     GLU C  317   CG   CD   OE1  OE2                                  
REMARK 480     THR D   56   CB   OG1  CG2                                       
REMARK 480     LYS D   57   CB   CG   CD   CE   NZ                              
REMARK 480     LYS D   58   CG   CD   CE   NZ                                   
REMARK 480     GLU D   61   CG   CD   OE1  OE2                                  
REMARK 480     LYS D   64   CD   CE   NZ                                        
REMARK 480     ARG D   65   CG   CD   NE   CZ   NH1  NH2                        
REMARK 480     GLU D   75   CD   OE1  OE2                                       
REMARK 480     ARG D   78   NE   CZ   NH1  NH2                                  
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG A 207   CD  -  NE  -  CZ  ANGL. DEV. =   9.6 DEGREES          
REMARK 500    ARG A 207   NE  -  CZ  -  NH1 ANGL. DEV. =  -6.7 DEGREES          
REMARK 500    ARG A 207   NE  -  CZ  -  NH2 ANGL. DEV. =   7.0 DEGREES          
REMARK 500    ARG A 233   NE  -  CZ  -  NH1 ANGL. DEV. =  -5.7 DEGREES          
REMARK 500    ARG A 233   NE  -  CZ  -  NH2 ANGL. DEV. =   5.3 DEGREES          
REMARK 500    ARG C 207   CD  -  NE  -  CZ  ANGL. DEV. =   8.9 DEGREES          
REMARK 500    ARG C 207   NE  -  CZ  -  NH1 ANGL. DEV. =   5.8 DEGREES          
REMARK 500    ARG C 207   NE  -  CZ  -  NH2 ANGL. DEV. =  -6.0 DEGREES          
REMARK 500    ARG C 233   NE  -  CZ  -  NH1 ANGL. DEV. =   5.6 DEGREES          
REMARK 500    ARG C 233   NE  -  CZ  -  NH2 ANGL. DEV. =  -6.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASN A 282       99.64   -166.69                                   
REMARK 500    SER A 285      149.77    -39.01                                   
REMARK 500    MET B  79       -3.91    -55.31                                   
REMARK 500    ASN C 282       99.57   -167.93                                   
REMARK 500    MET D  79       -3.20    -53.67                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 1                    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 2                    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 5                    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 12                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 13                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 14                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 17                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 18                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD B 7                    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD B 8                    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD C 3                    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD C 4                    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD C 10                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD C 11                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD C 15                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD C 16                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD D 6                    
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD D 9                    
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3PL7   RELATED DB: PDB                                   
DBREF  3PK1 A  174   326  UNP    Q07820   MCL1_HUMAN     174    326             
DBREF  3PK1 B   48    81  UNP    Q07812   BAX_HUMAN       48     81             
DBREF  3PK1 C  174   326  UNP    Q07820   MCL1_HUMAN     174    326             
DBREF  3PK1 D   48    81  UNP    Q07812   BAX_HUMAN       48     81             
SEQADV 3PK1 GLY A  138  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 SER A  139  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLY A  140  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 MET A  141  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 LYS A  142  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLU A  143  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 THR A  144  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA A  145  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA A  146  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA A  147  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 LYS A  148  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 PHE A  149  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLU A  150  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ARG A  151  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLN A  152  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 HIS A  153  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 MET A  154  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP A  155  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 SER A  156  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 PRO A  157  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP A  158  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 LEU A  159  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLY A  160  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 THR A  161  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP A  162  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP A  163  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP A  164  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP A  165  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 LYS A  166  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA A  167  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 MET A  168  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA A  169  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP A  170  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ILE A  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLY A  172  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 SER A  173  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLY C  138  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 SER C  139  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLY C  140  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 MET C  141  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 LYS C  142  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLU C  143  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 THR C  144  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA C  145  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA C  146  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA C  147  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 LYS C  148  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 PHE C  149  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLU C  150  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ARG C  151  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLN C  152  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 HIS C  153  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 MET C  154  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP C  155  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 SER C  156  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 PRO C  157  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP C  158  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 LEU C  159  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLY C  160  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 THR C  161  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP C  162  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP C  163  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP C  164  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP C  165  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 LYS C  166  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA C  167  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 MET C  168  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ALA C  169  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ASP C  170  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 ILE C  171  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 GLY C  172  UNP  Q07820              EXPRESSION TAG                 
SEQADV 3PK1 SER C  173  UNP  Q07820              EXPRESSION TAG                 
SEQRES   1 A  189  GLY SER GLY MET LYS GLU THR ALA ALA ALA LYS PHE GLU          
SEQRES   2 A  189  ARG GLN HIS MET ASP SER PRO ASP LEU GLY THR ASP ASP          
SEQRES   3 A  189  ASP ASP LYS ALA MET ALA ASP ILE GLY SER LEU TYR ARG          
SEQRES   4 A  189  GLN SER LEU GLU ILE ILE SER ARG TYR LEU ARG GLU GLN          
SEQRES   5 A  189  ALA THR GLY ALA LYS ASP THR LYS PRO MET GLY ARG SER          
SEQRES   6 A  189  GLY ALA THR SER ARG LYS ALA LEU GLU THR LEU ARG ARG          
SEQRES   7 A  189  VAL GLY ASP GLY VAL GLN ARG ASN HIS GLU THR ALA PHE          
SEQRES   8 A  189  GLN GLY MET LEU ARG LYS LEU ASP ILE LYS ASN GLU ASP          
SEQRES   9 A  189  ASP VAL LYS SER LEU SER ARG VAL MET ILE HIS VAL PHE          
SEQRES  10 A  189  SER ASP GLY VAL THR ASN TRP GLY ARG ILE VAL THR LEU          
SEQRES  11 A  189  ILE SER PHE GLY ALA PHE VAL ALA LYS HIS LEU LYS THR          
SEQRES  12 A  189  ILE ASN GLN GLU SER CYS ILE GLU PRO LEU ALA GLU SER          
SEQRES  13 A  189  ILE THR ASP VAL LEU VAL ARG THR LYS ARG ASP TRP LEU          
SEQRES  14 A  189  VAL LYS GLN ARG GLY TRP ASP GLY PHE VAL GLU PHE PHE          
SEQRES  15 A  189  HIS VAL GLU ASP LEU GLU GLY                                  
SEQRES   1 B   34  ASP PRO VAL PRO GLN ASP ALA SER THR LYS LYS LEU SER          
SEQRES   2 B   34  GLU CYS LEU LYS ARG ILE GLY ASP GLU LEU ASP SER ASN          
SEQRES   3 B   34  MET GLU LEU GLN ARG MET ILE ALA                              
SEQRES   1 C  189  GLY SER GLY MET LYS GLU THR ALA ALA ALA LYS PHE GLU          
SEQRES   2 C  189  ARG GLN HIS MET ASP SER PRO ASP LEU GLY THR ASP ASP          
SEQRES   3 C  189  ASP ASP LYS ALA MET ALA ASP ILE GLY SER LEU TYR ARG          
SEQRES   4 C  189  GLN SER LEU GLU ILE ILE SER ARG TYR LEU ARG GLU GLN          
SEQRES   5 C  189  ALA THR GLY ALA LYS ASP THR LYS PRO MET GLY ARG SER          
SEQRES   6 C  189  GLY ALA THR SER ARG LYS ALA LEU GLU THR LEU ARG ARG          
SEQRES   7 C  189  VAL GLY ASP GLY VAL GLN ARG ASN HIS GLU THR ALA PHE          
SEQRES   8 C  189  GLN GLY MET LEU ARG LYS LEU ASP ILE LYS ASN GLU ASP          
SEQRES   9 C  189  ASP VAL LYS SER LEU SER ARG VAL MET ILE HIS VAL PHE          
SEQRES  10 C  189  SER ASP GLY VAL THR ASN TRP GLY ARG ILE VAL THR LEU          
SEQRES  11 C  189  ILE SER PHE GLY ALA PHE VAL ALA LYS HIS LEU LYS THR          
SEQRES  12 C  189  ILE ASN GLN GLU SER CYS ILE GLU PRO LEU ALA GLU SER          
SEQRES  13 C  189  ILE THR ASP VAL LEU VAL ARG THR LYS ARG ASP TRP LEU          
SEQRES  14 C  189  VAL LYS GLN ARG GLY TRP ASP GLY PHE VAL GLU PHE PHE          
SEQRES  15 C  189  HIS VAL GLU ASP LEU GLU GLY                                  
SEQRES   1 D   34  ASP PRO VAL PRO GLN ASP ALA SER THR LYS LYS LEU SER          
SEQRES   2 D   34  GLU CYS LEU LYS ARG ILE GLY ASP GLU LEU ASP SER ASN          
SEQRES   3 D   34  MET GLU LEU GLN ARG MET ILE ALA                              
HET     CD  A   1       1                                                       
HET     CD  A   2       1                                                       
HET     CD  A   5       1                                                       
HET     CD  A  12       1                                                       
HET     CD  A  13       1                                                       
HET     CD  A  14       1                                                       
HET     CD  A  17       1                                                       
HET     CD  A  18       1                                                       
HET     CD  B   7       1                                                       
HET     CD  B   8       1                                                       
HET     CD  C   3       1                                                       
HET     CD  C   4       1                                                       
HET     CD  C  10       1                                                       
HET     CD  C  11       1                                                       
HET     CD  C  15       1                                                       
HET     CD  C  16       1                                                       
HET     CD  D   6       1                                                       
HET     CD  D   9       1                                                       
HETNAM      CD CADMIUM ION                                                      
FORMUL   5   CD    18(CD 2+)                                                    
FORMUL  23  HOH   *49(H2 O)                                                     
HELIX    1   1 SER A  173  GLY A  192  1                                  20    
HELIX    2   2 ALA A  204  HIS A  224  1                                  21    
HELIX    3   3 HIS A  224  ASP A  236  1                                  13    
HELIX    4   4 VAL A  243  PHE A  254  1                                  12    
HELIX    5   5 ASN A  260  ASN A  282  1                                  23    
HELIX    6   6 ILE A  287  GLN A  309  1                                  23    
HELIX    7   7 GLY A  311  HIS A  320  1                                  10    
HELIX    8   8 SER B   55  MET B   79  1                                  25    
HELIX    9   9 SER C  173  GLY C  192  1                                  20    
HELIX   10  10 THR C  205  HIS C  224  1                                  20    
HELIX   11  11 HIS C  224  ASP C  236  1                                  13    
HELIX   12  12 VAL C  243  PHE C  254  1                                  12    
HELIX   13  13 ASN C  260  ASN C  282  1                                  23    
HELIX   14  14 ILE C  287  GLN C  309  1                                  23    
HELIX   15  15 GLY C  311  HIS C  320  1                                  10    
HELIX   16  16 SER D   55  MET D   79  1                                  25    
SITE     1 AC1  4 GLU A 225  HOH C  21  HIS C 277  HOH C 327                    
SITE     1 AC2  3 HIS A 277  HOH C  25  GLU C 225                               
SITE     1 AC3  4 HOH A  23  HIS A 224  GLU B  69  ASP C 304                    
SITE     1 AC4  2  CD A  14  CYS A 286                                          
SITE     1 AC5  2 CYS A 286  GLU A 288                                          
SITE     1 AC6  3  CD A  12  GLU A 240  CYS A 286                               
SITE     1 AC7  2 GLU A 240  ASP A 241                                          
SITE     1 AC8  2 GLU A 180  GLU C 284                                          
SITE     1 AC9  2  CD B   8  CYS B  62                                          
SITE     1 BC1  3  CD B   7  HOH B  18  CYS B  62                               
SITE     1 BC2  4 ASP A 304  HOH C  22  HIS C 224  GLU D  69                    
SITE     1 BC3  2 HOH C  34  HIS C 252                                          
SITE     1 BC4  2  CD C  11   CD C  15                                          
SITE     1 BC5  2  CD C  10  CYS C 286                                          
SITE     1 BC6  2  CD C  10  GLU C 240                                          
SITE     1 BC7  2 GLU C 240  ASP C 241                                          
SITE     1 BC8  1 CYS D  62                                                     
SITE     1 BC9  1 CYS D  62                                                     
CRYST1   97.923   81.469   57.927  90.00 124.23  90.00 C 1 2 1       8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.010212  0.000000  0.006948        0.00000                         
SCALE2      0.000000  0.012275  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.020880        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system