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Database: PDB
Entry: 5VAX
LinkDB: 5VAX
Original site: 5VAX 
HEADER    APOPTOSIS                               28-MAR-17   5VAX              
TITLE     BCL-2 COMPLEX WITH BECLIN 1 BH3 DOMAIN                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: APOPTOSIS REGULATOR BCL-2 -- BCL-2-LIKE PROTEIN 1 CHIMERA; 
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 SYNONYM: BCL2-L-1,APOPTOSIS REGULATOR BCL-X;                         
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: BECLIN-1;                                                  
COMPND   8 CHAIN: E, F, G, H;                                                   
COMPND   9 SYNONYM: COILED-COIL MYOSIN-LIKE BCL2-INTERACTING PROTEIN,PROTEIN    
COMPND  10 GT197;                                                               
COMPND  11 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: BCL2, BCL2L1, BCL2L, BCLX;                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI K-12;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 83333;                                      
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: K-12;                                      
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 SYNTHETIC: YES;                                                      
SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
SOURCE  13 ORGANISM_TAXID: 9606                                                 
KEYWDS    APOPTOSIS, BCL-2, AUTOPHAGY, BECLIN 1                                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    E.F.LEE,B.J.SMITH,S.YAO,W.D.FAIRLIE                                   
REVDAT   1   04-APR-18 5VAX    0                                                
JRNL        AUTH   E.F.LEE,B.J.SMITH,S.YAO,W.D.FAIRLIE                          
JRNL        TITL   BCL-2 COMPLEX WITH BECLIN 1 PT108 BH3 DOMAIN                 
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.11.1_2575: ???)                            
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 48.78                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.330                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 50321                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.211                           
REMARK   3   R VALUE            (WORKING SET) : 0.209                           
REMARK   3   FREE R VALUE                     : 0.243                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2515                            
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 48.7945 -  5.2383    1.00     2847   151  0.1959 0.2190        
REMARK   3     2  5.2383 -  4.1585    1.00     2730   143  0.1665 0.1824        
REMARK   3     3  4.1585 -  3.6330    1.00     2695   142  0.1727 0.2178        
REMARK   3     4  3.6330 -  3.3009    1.00     2698   142  0.1862 0.2074        
REMARK   3     5  3.3009 -  3.0644    1.00     2672   141  0.2117 0.2529        
REMARK   3     6  3.0644 -  2.8837    1.00     2644   139  0.2030 0.2429        
REMARK   3     7  2.8837 -  2.7393    1.00     2666   141  0.2062 0.2294        
REMARK   3     8  2.7393 -  2.6201    1.00     2647   139  0.2097 0.2642        
REMARK   3     9  2.6201 -  2.5192    1.00     2665   140  0.2199 0.2834        
REMARK   3    10  2.5192 -  2.4323    1.00     2631   139  0.2180 0.2959        
REMARK   3    11  2.4323 -  2.3562    1.00     2635   138  0.2365 0.2790        
REMARK   3    12  2.3562 -  2.2889    1.00     2622   138  0.2426 0.2808        
REMARK   3    13  2.2889 -  2.2286    1.00     2624   139  0.2685 0.2894        
REMARK   3    14  2.2286 -  2.1743    1.00     2643   139  0.2644 0.3388        
REMARK   3    15  2.1743 -  2.1248    1.00     2623   138  0.2802 0.3230        
REMARK   3    16  2.1248 -  2.0796    1.00     2610   135  0.3360 0.3574        
REMARK   3    17  2.0796 -  2.0380    0.99     2620   138  0.4265 0.5050        
REMARK   3    18  2.0380 -  1.9996    0.97     2534   133  0.4045 0.4242        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.310            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 30.400           
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) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.007           5468                                  
REMARK   3   ANGLE     :  0.833           7408                                  
REMARK   3   CHIRALITY :  0.047            770                                  
REMARK   3   PLANARITY :  0.005            955                                  
REMARK   3   DIHEDRAL  :  9.279           4048                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
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 5VAX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-APR-17.                  
REMARK 100 THE DEPOSITION ID IS D_1000227143.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 09-OCT-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 4.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : AUSTRALIAN SYNCHROTRON             
REMARK 200  BEAMLINE                       : MX2                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9537                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 270                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XDS                                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 50382                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY                : 7.200                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.8800                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 2XA0                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 40.23                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.06                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: BIS-TRIS CHLORIDE, PH 4.5, 0.2M          
REMARK 280  AMMONIUM ACETATE, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP,      
REMARK 280  TEMPERATURE 293K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
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       33.23700            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       63.31550            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       43.58700            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       63.31550            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       33.23700            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       43.58700            
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, 3, 4                                              
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: 2010 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 8350 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, E                                  
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: 1990 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 8520 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -16.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, F                                  
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: 3                                                       
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: 2020 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 8230 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -19.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, G                                  
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: 4                                                       
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: 2000 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 8080 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -19.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, H                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A    -1                                                      
REMARK 465     SER A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     HIS A     3                                                      
REMARK 465     ALA A     4                                                      
REMARK 465     GLY A     5                                                      
REMARK 465     ARG A     6                                                      
REMARK 465     THR A     7                                                      
REMARK 465     GLY A     8                                                      
REMARK 465     ASP A    73                                                      
REMARK 465     GLY A    74                                                      
REMARK 465     ASP A    75                                                      
REMARK 465     ASP A    76                                                      
REMARK 465     VAL A    77                                                      
REMARK 465     GLU A    78                                                      
REMARK 465     GLU A    79                                                      
REMARK 465     ASN A    80                                                      
REMARK 465     ARG A    81                                                      
REMARK 465     THR A    82                                                      
REMARK 465     GLU A    83                                                      
REMARK 465     ALA A    84                                                      
REMARK 465     PRO A    85                                                      
REMARK 465     GLU A    86                                                      
REMARK 465     GLY A    87                                                      
REMARK 465     ASP E   105                                                      
REMARK 465     GLY E   106                                                      
REMARK 465     GLY E   107                                                      
REMARK 465     THR E   130                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     SER B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     ALA B     2                                                      
REMARK 465     HIS B     3                                                      
REMARK 465     ALA B     4                                                      
REMARK 465     GLY B     5                                                      
REMARK 465     ARG B     6                                                      
REMARK 465     ASP B    73                                                      
REMARK 465     GLY B    74                                                      
REMARK 465     ASP B    75                                                      
REMARK 465     ASP B    76                                                      
REMARK 465     VAL B    77                                                      
REMARK 465     GLU B    78                                                      
REMARK 465     GLU B    79                                                      
REMARK 465     ASN B    80                                                      
REMARK 465     ARG B    81                                                      
REMARK 465     THR B    82                                                      
REMARK 465     GLU B    83                                                      
REMARK 465     ALA B    84                                                      
REMARK 465     PRO B    85                                                      
REMARK 465     ASP F   105                                                      
REMARK 465     GLY F   106                                                      
REMARK 465     GLY F   107                                                      
REMARK 465     GLN F   129                                                      
REMARK 465     THR F   130                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     SER C     0                                                      
REMARK 465     MET C     1                                                      
REMARK 465     ALA C     2                                                      
REMARK 465     HIS C     3                                                      
REMARK 465     ALA C     4                                                      
REMARK 465     GLY C     5                                                      
REMARK 465     ARG C     6                                                      
REMARK 465     THR C     7                                                      
REMARK 465     GLY C     8                                                      
REMARK 465     TYR C     9                                                      
REMARK 465     ASP C    73                                                      
REMARK 465     GLY C    74                                                      
REMARK 465     ASP C    75                                                      
REMARK 465     ASP C    76                                                      
REMARK 465     VAL C    77                                                      
REMARK 465     GLU C    78                                                      
REMARK 465     GLU C    79                                                      
REMARK 465     ASN C    80                                                      
REMARK 465     ARG C    81                                                      
REMARK 465     THR C    82                                                      
REMARK 465     GLU C    83                                                      
REMARK 465     ALA C    84                                                      
REMARK 465     PRO C    85                                                      
REMARK 465     GLU C    86                                                      
REMARK 465     GLY C    87                                                      
REMARK 465     THR C    88                                                      
REMARK 465     GLU C    89                                                      
REMARK 465     PRO C   204                                                      
REMARK 465     SER C   205                                                      
REMARK 465     MET C   206                                                      
REMARK 465     ARG C   207                                                      
REMARK 465     ASP G   105                                                      
REMARK 465     GLY G   106                                                      
REMARK 465     THR G   130                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     SER D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     ALA D     2                                                      
REMARK 465     HIS D     3                                                      
REMARK 465     ALA D     4                                                      
REMARK 465     GLY D     5                                                      
REMARK 465     ARG D     6                                                      
REMARK 465     THR D     7                                                      
REMARK 465     GLY D     8                                                      
REMARK 465     GLY D    74                                                      
REMARK 465     ASP D    75                                                      
REMARK 465     ASP D    76                                                      
REMARK 465     VAL D    77                                                      
REMARK 465     GLU D    78                                                      
REMARK 465     GLU D    79                                                      
REMARK 465     ASN D    80                                                      
REMARK 465     ARG D    81                                                      
REMARK 465     THR D    82                                                      
REMARK 465     GLU D    83                                                      
REMARK 465     ALA D    84                                                      
REMARK 465     PRO D    85                                                      
REMARK 465     GLU D    86                                                      
REMARK 465     GLY D    87                                                      
REMARK 465     THR D    88                                                      
REMARK 465     GLU D    89                                                      
REMARK 465     SER D    90                                                      
REMARK 465     SER D   205                                                      
REMARK 465     MET D   206                                                      
REMARK 465     ARG D   207                                                      
REMARK 465     ASP H   105                                                      
REMARK 465     GLY H   106                                                      
REMARK 465     GLY H   107                                                      
REMARK 465     GLN H   129                                                      
REMARK 465     THR H   130                                                      
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     LYS A  17    CE   NZ                                             
REMARK 470     ASP A  31    CG   OD1  OD2                                       
REMARK 470     ARG A 110    CZ   NH1  NH2                                       
REMARK 470     ALA A 113    CB                                                  
REMARK 470     SER A 117    OG                                                  
REMARK 470     GLN A 118    CG   CD   OE1  NE2                                  
REMARK 470     ARG A 139    CZ   NH1  NH2                                       
REMARK 470     ARG A 164    CD   NE   CZ   NH1  NH2                             
REMARK 470     GLN A 190    CD   OE1  NE2                                       
REMARK 470     LEU A 201    CD1  CD2                                            
REMARK 470     ARG A 207    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU E 110    CB   CG   CD   OE1  OE2                             
REMARK 470     LYS B  17    CE   NZ                                             
REMARK 470     ARG B  26    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU B  29    CD   OE1  OE2                                       
REMARK 470     ASP B  31    CG   OD1  OD2                                       
REMARK 470     ARG B 110    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP B 111    CG   OD1  OD2                                       
REMARK 470     ALA B 113    CB                                                  
REMARK 470     GLN B 118    CG   CD   OE1  NE2                                  
REMARK 470     HIS B 120    CG   ND1  CD2  CE1  NE2                             
REMARK 470     GLU B 135    CG   CD   OE1  OE2                                  
REMARK 470     ARG B 164    CD   NE   CZ   NH1  NH2                             
REMARK 470     ARG B 207    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU F 110    CG   CD   OE1  OE2                                  
REMARK 470     ARG F 114    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C  91    CG   CD   OE1  OE2                                  
REMARK 470     ALA C 113    CB                                                  
REMARK 470     GLN C 118    CG   CD   OE1  NE2                                  
REMARK 470     ARG C 139    CZ   NH1  NH2                                       
REMARK 470     GLU C 200    CG   CD   OE1  OE2                                  
REMARK 470     GLN G 129    CG   CD   OE1  NE2                                  
REMARK 470     LYS D  17    NZ                                                  
REMARK 470     GLU D  29    CG   CD   OE1  OE2                                  
REMARK 470     GLU D  91    CG   CD   OE1  OE2                                  
REMARK 470     ARG D 109    CZ   NH1  NH2                                       
REMARK 470     ARG D 110    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ALA D 113    CB                                                  
REMARK 470     GLN D 118    CG   CD   OE1  NE2                                  
REMARK 470     ARG D 183    NE   CZ   NH1  NH2                                  
REMARK 470     GLU D 200    CG   CD   OE1  OE2                                  
REMARK 470     PRO D 204    CA   C    O    CB   CG   CD                         
REMARK 470     GLU H 110    CG   CD   OE1  OE2                                  
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   OD2  ASP B   103     OH   TYR B   202              2.06            
REMARK 500   O    HOH C   309     O    HOH C   315              2.09            
REMARK 500   O    HOH B   308     O    HOH B   313              2.11            
REMARK 500   OD1  ASP A   103     OH   TYR A   202              2.15            
REMARK 500   O    HOH B   306     O    HOH B   323              2.18            
REMARK 500   OH   TYR C    18     OE2  GLU C   152              2.19            
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    GLU A 165       41.35     72.77                                   
REMARK 500    ALA B 113     -179.00    -68.19                                   
REMARK 500    GLN B 118       24.14    -72.29                                   
REMARK 500    ALA C 113     -178.71    -66.78                                   
REMARK 500    HIS C 184      -31.12   -130.47                                   
REMARK 500    ALA D 113     -179.76    -66.96                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5VAU   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5VAY   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5VB1   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5VB4   RELATED DB: PDB                                   
DBREF  5VAX A    1    75  UNP    P10415   BCL2_HUMAN       1     34             
DBREF  5VAX A   76    91  PDB    5VAX     5VAX            76     91             
DBREF  5VAX A   92   207  UNP    P10415   BCL2_HUMAN      92    207             
DBREF  5VAX E  105   130  UNP    Q14457   BECN1_HUMAN    105    130             
DBREF  5VAX B    1    75  UNP    P10415   BCL2_HUMAN       1     34             
DBREF  5VAX B   76    91  PDB    5VAX     5VAX            76     91             
DBREF  5VAX B   92   207  UNP    P10415   BCL2_HUMAN      92    207             
DBREF  5VAX F  105   130  UNP    Q14457   BECN1_HUMAN    105    130             
DBREF  5VAX C    1    75  UNP    P10415   BCL2_HUMAN       1     34             
DBREF  5VAX C   76    91  PDB    5VAX     5VAX            76     91             
DBREF  5VAX C   92   207  UNP    P10415   BCL2_HUMAN      92    207             
DBREF  5VAX G  105   130  UNP    Q14457   BECN1_HUMAN    105    130             
DBREF  5VAX D    1    75  UNP    P10415   BCL2_HUMAN       1     34             
DBREF  5VAX D   76    91  PDB    5VAX     5VAX            76     91             
DBREF  5VAX D   92   207  UNP    P10415   BCL2_HUMAN      92    207             
DBREF  5VAX H  105   130  UNP    Q14457   BECN1_HUMAN    105    130             
SEQADV 5VAX GLY A   -1  UNP  P10415              EXPRESSION TAG                 
SEQADV 5VAX SER A    0  UNP  P10415              EXPRESSION TAG                 
SEQADV 5VAX ASP A   73  UNP  P10415    ALA    32 CONFLICT                       
SEQADV 5VAX GLY B   -1  UNP  P10415              EXPRESSION TAG                 
SEQADV 5VAX SER B    0  UNP  P10415              EXPRESSION TAG                 
SEQADV 5VAX ASP B   73  UNP  P10415    ALA    32 CONFLICT                       
SEQADV 5VAX GLY C   -1  UNP  P10415              EXPRESSION TAG                 
SEQADV 5VAX SER C    0  UNP  P10415              EXPRESSION TAG                 
SEQADV 5VAX ASP C   73  UNP  P10415    ALA    32 CONFLICT                       
SEQADV 5VAX GLY D   -1  UNP  P10415              EXPRESSION TAG                 
SEQADV 5VAX SER D    0  UNP  P10415              EXPRESSION TAG                 
SEQADV 5VAX ASP D   32  UNP  P10415    ALA    32 CONFLICT                       
SEQRES   1 A  168  GLY SER MET ALA HIS ALA GLY ARG THR GLY TYR ASP ASN          
SEQRES   2 A  168  ARG GLU ILE VAL MET LYS TYR ILE HIS TYR LYS LEU SER          
SEQRES   3 A  168  GLN ARG GLY TYR GLU TRP ASP ASP GLY ASP ASP VAL GLU          
SEQRES   4 A  168  GLU ASN ARG THR GLU ALA PRO GLU GLY THR GLU SER GLU          
SEQRES   5 A  168  VAL VAL HIS LEU THR LEU ARG GLN ALA GLY ASP ASP PHE          
SEQRES   6 A  168  SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SER SER          
SEQRES   7 A  168  GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY ARG PHE          
SEQRES   8 A  168  ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY VAL ASN          
SEQRES   9 A  168  TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY GLY VAL          
SEQRES  10 A  168  MET CYS VAL GLU SER VAL ASN ARG GLU MET SER PRO LEU          
SEQRES  11 A  168  VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR LEU ASN          
SEQRES  12 A  168  ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY GLY TRP          
SEQRES  13 A  168  ASP ALA PHE VAL GLU LEU TYR GLY PRO SER MET ARG              
SEQRES   1 E   26  ASP GLY GLY TPO MET GLU ASN LEU SER ARG ARG LEU LYS          
SEQRES   2 E   26  VAL THR GLY ASP LEU PHE ASP ILE MET SER GLY GLN THR          
SEQRES   1 B  168  GLY SER MET ALA HIS ALA GLY ARG THR GLY TYR ASP ASN          
SEQRES   2 B  168  ARG GLU ILE VAL MET LYS TYR ILE HIS TYR LYS LEU SER          
SEQRES   3 B  168  GLN ARG GLY TYR GLU TRP ASP ASP GLY ASP ASP VAL GLU          
SEQRES   4 B  168  GLU ASN ARG THR GLU ALA PRO GLU GLY THR GLU SER GLU          
SEQRES   5 B  168  VAL VAL HIS LEU THR LEU ARG GLN ALA GLY ASP ASP PHE          
SEQRES   6 B  168  SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SER SER          
SEQRES   7 B  168  GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY ARG PHE          
SEQRES   8 B  168  ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY VAL ASN          
SEQRES   9 B  168  TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY GLY VAL          
SEQRES  10 B  168  MET CYS VAL GLU SER VAL ASN ARG GLU MET SER PRO LEU          
SEQRES  11 B  168  VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR LEU ASN          
SEQRES  12 B  168  ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY GLY TRP          
SEQRES  13 B  168  ASP ALA PHE VAL GLU LEU TYR GLY PRO SER MET ARG              
SEQRES   1 F   26  ASP GLY GLY TPO MET GLU ASN LEU SER ARG ARG LEU LYS          
SEQRES   2 F   26  VAL THR GLY ASP LEU PHE ASP ILE MET SER GLY GLN THR          
SEQRES   1 C  168  GLY SER MET ALA HIS ALA GLY ARG THR GLY TYR ASP ASN          
SEQRES   2 C  168  ARG GLU ILE VAL MET LYS TYR ILE HIS TYR LYS LEU SER          
SEQRES   3 C  168  GLN ARG GLY TYR GLU TRP ASP ASP GLY ASP ASP VAL GLU          
SEQRES   4 C  168  GLU ASN ARG THR GLU ALA PRO GLU GLY THR GLU SER GLU          
SEQRES   5 C  168  VAL VAL HIS LEU THR LEU ARG GLN ALA GLY ASP ASP PHE          
SEQRES   6 C  168  SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SER SER          
SEQRES   7 C  168  GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY ARG PHE          
SEQRES   8 C  168  ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY VAL ASN          
SEQRES   9 C  168  TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY GLY VAL          
SEQRES  10 C  168  MET CYS VAL GLU SER VAL ASN ARG GLU MET SER PRO LEU          
SEQRES  11 C  168  VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR LEU ASN          
SEQRES  12 C  168  ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY GLY TRP          
SEQRES  13 C  168  ASP ALA PHE VAL GLU LEU TYR GLY PRO SER MET ARG              
SEQRES   1 G   26  ASP GLY GLY TPO MET GLU ASN LEU SER ARG ARG LEU LYS          
SEQRES   2 G   26  VAL THR GLY ASP LEU PHE ASP ILE MET SER GLY GLN THR          
SEQRES   1 D  168  GLY SER MET ALA HIS ALA GLY ARG THR GLY TYR ASP ASN          
SEQRES   2 D  168  ARG GLU ILE VAL MET LYS TYR ILE HIS TYR LYS LEU SER          
SEQRES   3 D  168  GLN ARG GLY TYR GLU TRP ASP ASP GLY ASP ASP VAL GLU          
SEQRES   4 D  168  GLU ASN ARG THR GLU ALA PRO GLU GLY THR GLU SER GLU          
SEQRES   5 D  168  VAL VAL HIS LEU THR LEU ARG GLN ALA GLY ASP ASP PHE          
SEQRES   6 D  168  SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SER SER          
SEQRES   7 D  168  GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY ARG PHE          
SEQRES   8 D  168  ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY VAL ASN          
SEQRES   9 D  168  TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY GLY VAL          
SEQRES  10 D  168  MET CYS VAL GLU SER VAL ASN ARG GLU MET SER PRO LEU          
SEQRES  11 D  168  VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR LEU ASN          
SEQRES  12 D  168  ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY GLY TRP          
SEQRES  13 D  168  ASP ALA PHE VAL GLU LEU TYR GLY PRO SER MET ARG              
SEQRES   1 H   26  ASP GLY GLY TPO MET GLU ASN LEU SER ARG ARG LEU LYS          
SEQRES   2 H   26  VAL THR GLY ASP LEU PHE ASP ILE MET SER GLY GLN THR          
MODRES 5VAX TPO E  108  THR  MODIFIED RESIDUE                                   
MODRES 5VAX TPO F  108  THR  MODIFIED RESIDUE                                   
MODRES 5VAX TPO G  108  THR  MODIFIED RESIDUE                                   
MODRES 5VAX TPO H  108  THR  MODIFIED RESIDUE                                   
HET    TPO  E 108      11                                                       
HET    TPO  F 108      11                                                       
HET    TPO  G 108      11                                                       
HET    TPO  H 108      11                                                       
HETNAM     TPO PHOSPHOTHREONINE                                                 
HETSYN     TPO PHOSPHONOTHREONINE                                               
FORMUL   2  TPO    4(C4 H10 N O6 P)                                             
FORMUL   9  HOH   *76(H2 O)                                                     
HELIX    1 AA1 ASP A   10  GLN A   25  1                                  16    
HELIX    2 AA2 GLU A   89  PHE A  112  1                                  24    
HELIX    3 AA3 GLU A  114  LEU A  119  5                                   6    
HELIX    4 AA4 THR A  125  PHE A  138  1                                  14    
HELIX    5 AA5 ASN A  143  ARG A  164  1                                  22    
HELIX    6 AA6 PRO A  168  LEU A  185  1                                  18    
HELIX    7 AA7 LEU A  185  ASN A  192  1                                   8    
HELIX    8 AA8 GLY A  193  GLY A  203  1                                  11    
HELIX    9 AA9 PRO A  204  MET A  206  5                                   3    
HELIX   10 AB1 MET E  109  GLY E  128  1                                  20    
HELIX   11 AB2 GLY B    8  ARG B   26  1                                  19    
HELIX   12 AB3 THR B   88  PHE B  112  1                                  25    
HELIX   13 AB4 SER B  116  HIS B  120  5                                   5    
HELIX   14 AB5 THR B  125  ASP B  140  1                                  16    
HELIX   15 AB6 ASN B  143  ARG B  164  1                                  22    
HELIX   16 AB7 PRO B  168  LEU B  185  1                                  18    
HELIX   17 AB8 LEU B  185  ASN B  192  1                                   8    
HELIX   18 AB9 GLY B  194  GLY B  203  1                                  10    
HELIX   19 AC1 PRO B  204  MET B  206  5                                   3    
HELIX   20 AC2 MET F  109  GLY F  128  1                                  20    
HELIX   21 AC3 ASN C   11  GLN C   25  1                                  15    
HELIX   22 AC4 GLU C   91  PHE C  112  1                                  22    
HELIX   23 AC5 MET C  115  LEU C  119  5                                   5    
HELIX   24 AC6 THR C  125  ARG C  139  1                                  15    
HELIX   25 AC7 ASN C  143  ARG C  164  1                                  22    
HELIX   26 AC8 PRO C  168  HIS C  184  1                                  17    
HELIX   27 AC9 LEU C  185  ASN C  192  1                                   8    
HELIX   28 AD1 GLY C  193  GLY C  203  1                                  11    
HELIX   29 AD2 TPO G  108  SER G  127  1                                  20    
HELIX   30 AD3 ASP D   10  ARG D   26  1                                  17    
HELIX   31 AD4 VAL D   92  PHE D  112  1                                  21    
HELIX   32 AD5 GLU D  114  LEU D  119  5                                   6    
HELIX   33 AD6 THR D  125  ARG D  139  1                                  15    
HELIX   34 AD7 ASN D  143  ARG D  164  1                                  22    
HELIX   35 AD8 PRO D  168  LEU D  185  1                                  18    
HELIX   36 AD9 LEU D  185  ASP D  191  1                                   7    
HELIX   37 AE1 GLY D  193  GLY D  203  1                                  11    
HELIX   38 AE2 MET H  109  GLY H  128  1                                  20    
LINK         C   TPO E 108                 N   MET E 109     1555   1555  1.33  
LINK         C   TPO F 108                 N   MET F 109     1555   1555  1.33  
LINK         C   GLY G 107                 N   TPO G 108     1555   1555  1.33  
LINK         C   TPO G 108                 N   MET G 109     1555   1555  1.33  
LINK         C   TPO H 108                 N   MET H 109     1555   1555  1.33  
CRYST1   66.474   87.174  126.631  90.00  90.00  90.00 P 21 21 21   16          
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      0.015043  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.011471  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007897        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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