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Database: PDB
Entry: 6DCO
LinkDB: 6DCO
Original site: 6DCO 
HEADER    APOPTOSIS                               07-MAY-18   6DCO              
TITLE     BCL-XL COMPLEX WITH BECLIN 1 BH3 DOMAIN T108D                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BCL-2-LIKE PROTEIN 1,BCL-2-LIKE PROTEIN 1;                 
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: BCL2-L-1,APOPTOSIS REGULATOR BCL-X,BCL2-L-1,APOPTOSIS       
COMPND   5 REGULATOR BCL-X;                                                     
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: BECLIN-1;                                                  
COMPND   9 CHAIN: C, D;                                                         
COMPND  10 SYNONYM: COILED-COIL MYOSIN-LIKE BCL2-INTERACTING PROTEIN,PROTEIN    
COMPND  11 GT197;                                                               
COMPND  12 ENGINEERED: YES;                                                     
COMPND  13 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: BCL2L1, BCL2L, BCLX;                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
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,N.A.SMITH,S.YAO,W.D.FAIRLIE                         
REVDAT   4   01-JAN-20 6DCO    1       REMARK                                   
REVDAT   3   17-APR-19 6DCO    1       JRNL                                     
REVDAT   2   23-JAN-19 6DCO    1       JRNL                                     
REVDAT   1   30-MAY-18 6DCO    0                                                
SPRSDE     30-MAY-18 6DCO      5VB4                                             
JRNL        AUTH   E.F.LEE,N.A.SMITH,T.P.SOARES DA COSTA,N.MEFTAHI,S.YAO,       
JRNL        AUTH 2 T.J.HARRIS,S.TRAN,A.PETTIKIRIARACHCHI,M.A.PERUGINI,          
JRNL        AUTH 3 D.W.KEIZER,M.EVANGELISTA,B.J.SMITH,W.D.FAIRLIE               
JRNL        TITL   STRUCTURAL INSIGHTS INTO BCL2 PRO-SURVIVAL PROTEIN           
JRNL        TITL 2 INTERACTIONS WITH THE KEY AUTOPHAGY REGULATOR BECN1          
JRNL        TITL 3 FOLLOWING PHOSPHORYLATION BY STK4/MST1.                      
JRNL        REF    AUTOPHAGY                     V.  15   785 2019              
JRNL        REFN                   ESSN 1554-8635                               
JRNL        PMID   30626284                                                     
JRNL        DOI    10.1080/15548627.2018.1564557                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.13_2998: ???)                              
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) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 48.92                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 30439                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.205                           
REMARK   3   R VALUE            (WORKING SET) : 0.203                           
REMARK   3   FREE R VALUE                     : 0.231                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 6.560                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1997                            
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 48.9310 -  5.2951    1.00     2223   156  0.1869 0.1802        
REMARK   3     2  5.2951 -  4.2036    1.00     2087   146  0.1605 0.1934        
REMARK   3     3  4.2036 -  3.6724    1.00     2073   146  0.1676 0.2130        
REMARK   3     4  3.6724 -  3.3367    1.00     2053   145  0.2012 0.2481        
REMARK   3     5  3.3367 -  3.0976    1.00     2019   142  0.2236 0.2566        
REMARK   3     6  3.0976 -  2.9150    1.00     2040   143  0.2326 0.2644        
REMARK   3     7  2.9150 -  2.7690    1.00     2017   142  0.2373 0.2753        
REMARK   3     8  2.7690 -  2.6485    1.00     2028   141  0.2287 0.2393        
REMARK   3     9  2.6485 -  2.5466    1.00     1999   141  0.2430 0.2820        
REMARK   3    10  2.5466 -  2.4587    1.00     2019   142  0.2553 0.2968        
REMARK   3    11  2.4587 -  2.3818    1.00     2002   141  0.2605 0.2909        
REMARK   3    12  2.3818 -  2.3137    1.00     1997   139  0.2661 0.3073        
REMARK   3    13  2.3137 -  2.2528    1.00     1991   140  0.2873 0.3549        
REMARK   3    14  2.2528 -  2.1979    0.95     1894   133  0.3131 0.3466        
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) : 24.650           
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           2658                                  
REMARK   3   ANGLE     :  0.806           3596                                  
REMARK   3   CHIRALITY :  0.045            389                                  
REMARK   3   PLANARITY :  0.004            461                                  
REMARK   3   DIHEDRAL  : 22.612            928                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A):   2.8010 -14.7867  24.1974              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5049 T22:   0.2960                                     
REMARK   3      T33:   0.3956 T12:  -0.0008                                     
REMARK   3      T13:   0.0516 T23:  -0.0238                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4279 L22:   0.4449                                     
REMARK   3      L33:   1.5931 L12:  -0.1924                                     
REMARK   3      L13:   0.5648 L23:  -0.4499                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0069 S12:   0.0118 S13:  -0.2757                       
REMARK   3      S21:  -0.0184 S22:  -0.0681 S23:  -0.0191                       
REMARK   3      S31:   0.3316 S32:   0.0634 S33:   0.0466                       
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 6DCO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-MAY-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000234382.                                   
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                             : 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                       : 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   : 30476                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.198                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 48.920                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY                : 14.10                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 20.6300                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.28                     
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: 2P1L                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 65.12                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.53                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M TRIS PH 7.0, 0.2M MGCL2, 2.5M       
REMARK 280  NACL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K               
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 4 21 2                         
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   -Y+1/2,X+1/2,Z                                          
REMARK 290       4555   Y+1/2,-X+1/2,Z                                          
REMARK 290       5555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       6555   X+1/2,-Y+1/2,-Z                                         
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z                                                
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -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  0.000000 -1.000000  0.000000       54.69300            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       54.69300            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       54.69300            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       54.69300            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       54.69300            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       54.69300            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       54.69300            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       54.69300            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 8210 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 15700 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -85.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, 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     ALA A   199                                                      
REMARK 465     ALA A   200                                                      
REMARK 465     ALA A   201                                                      
REMARK 465     GLU A   202                                                      
REMARK 465     SER A   203                                                      
REMARK 465     ARG A   204                                                      
REMARK 465     LYS A   205                                                      
REMARK 465     GLY A   206                                                      
REMARK 465     GLN A   207                                                      
REMARK 465     GLU A   208                                                      
REMARK 465     ALA B   199                                                      
REMARK 465     ALA B   200                                                      
REMARK 465     ALA B   201                                                      
REMARK 465     GLU B   202                                                      
REMARK 465     SER B   203                                                      
REMARK 465     ARG B   204                                                      
REMARK 465     LYS B   205                                                      
REMARK 465     GLY B   206                                                      
REMARK 465     GLN B   207                                                      
REMARK 465     GLU B   208                                                      
REMARK 465     ASP C   105                                                      
REMARK 465     GLY C   106                                                      
REMARK 465     GLY C   107                                                      
REMARK 465     GLY C   128                                                      
REMARK 465     GLN C   129                                                      
REMARK 465     THR C   130                                                      
REMARK 465     ASP D   105                                                      
REMARK 465     GLY D   106                                                      
REMARK 465     GLY D   107                                                      
REMARK 465     GLN D   129                                                      
REMARK 465     THR D   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     GLN A  26    CG   CD   OE1  NE2                                  
REMARK 470     SER A 110    OG                                                  
REMARK 470     HIS A 113    CG   ND1  CD2  CE1  NE2                             
REMARK 470     GLN A 160    CG   CD   OE1  NE2                                  
REMARK 470     ASN A 198    CG   OD1  ND2                                       
REMARK 470     SER B  23    OG                                                  
REMARK 470     GLN B  88    CG   CD   OE1  NE2                                  
REMARK 470     GLU B  98    CG   CD   OE1  OE2                                  
REMARK 470     ARG B 100    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG B 102    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     SER B 110    OG                                                  
REMARK 470     GLN B 111    CG   CD   OE1  NE2                                  
REMARK 470     LEU B 112    CG   CD1  CD2                                       
REMARK 470     HIS B 113    CG   ND1  CD2  CE1  NE2                             
REMARK 470     GLN B 125    CG   CD   OE1  NE2                                  
REMARK 470     GLU B 193    CG   CD   OE1  OE2                                  
REMARK 470     ASP C 108    CG   OD1  OD2                                       
REMARK 470     GLU C 110    CG   CD   OE1  OE2                                  
REMARK 470     ASP D 108    CG   OD1  OD2                                       
REMARK 470     MET D 109    CG   SD   CE                                        
REMARK 470     GLU D 110    CG   CD   OE1  OE2                                  
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    MET A   1       50.12   -116.59                                   
REMARK 500    SER A   2       57.93   -114.36                                   
REMARK 500    SER A 110       59.66    -66.27                                   
REMARK 500    THR B 109      -13.77     73.64                                   
REMARK 500    GLN B 111       -2.60     80.74                                   
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 CL A 301                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 302                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 303                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5VAX   RELATED DB: PDB                                   
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: 6DCN   RELATED DB: PDB                                   
DBREF  6DCO A    1    26  UNP    Q07817   B2CL1_HUMAN      1     26             
DBREF  6DCO A   83   208  UNP    Q07817   B2CL1_HUMAN     83    208             
DBREF  6DCO B    1    26  UNP    Q07817   B2CL1_HUMAN      1     26             
DBREF  6DCO B   83   208  UNP    Q07817   B2CL1_HUMAN     83    208             
DBREF  6DCO C  105   130  UNP    Q14457   BECN1_HUMAN    105    130             
DBREF  6DCO D  105   130  UNP    Q14457   BECN1_HUMAN    105    130             
SEQADV 6DCO PRO A   -3  UNP  Q07817              EXPRESSION TAG                 
SEQADV 6DCO LEU A   -2  UNP  Q07817              EXPRESSION TAG                 
SEQADV 6DCO GLY A   -1  UNP  Q07817              EXPRESSION TAG                 
SEQADV 6DCO SER A    0  UNP  Q07817              EXPRESSION TAG                 
SEQADV 6DCO PRO B   -3  UNP  Q07817              EXPRESSION TAG                 
SEQADV 6DCO LEU B   -2  UNP  Q07817              EXPRESSION TAG                 
SEQADV 6DCO GLY B   -1  UNP  Q07817              EXPRESSION TAG                 
SEQADV 6DCO SER B    0  UNP  Q07817              EXPRESSION TAG                 
SEQADV 6DCO ASP C  108  UNP  Q14457    THR   108 ENGINEERED MUTATION            
SEQADV 6DCO ASP D  108  UNP  Q14457    THR   108 ENGINEERED MUTATION            
SEQRES   1 A  156  PRO LEU GLY SER MET SER GLN SER ASN ARG GLU LEU VAL          
SEQRES   2 A  156  VAL ASP PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR          
SEQRES   3 A  156  SER TRP SER GLN MET ALA ALA VAL LYS GLN ALA LEU ARG          
SEQRES   4 A  156  GLU ALA GLY ASP GLU PHE GLU LEU ARG TYR ARG ARG ALA          
SEQRES   5 A  156  PHE SER ASP LEU THR SER GLN LEU HIS ILE THR PRO GLY          
SEQRES   6 A  156  THR ALA TYR GLN SER PHE GLU GLN VAL VAL ASN GLU LEU          
SEQRES   7 A  156  PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE VAL ALA PHE          
SEQRES   8 A  156  PHE SER PHE GLY GLY ALA LEU CYS VAL GLU SER VAL ASP          
SEQRES   9 A  156  LYS GLU MET GLN VAL LEU VAL SER ARG ILE ALA ALA TRP          
SEQRES  10 A  156  MET ALA THR TYR LEU ASN ASP HIS LEU GLU PRO TRP ILE          
SEQRES  11 A  156  GLN GLU ASN GLY GLY TRP ASP THR PHE VAL GLU LEU TYR          
SEQRES  12 A  156  GLY ASN ASN ALA ALA ALA GLU SER ARG LYS GLY GLN GLU          
SEQRES   1 B  156  PRO LEU GLY SER MET SER GLN SER ASN ARG GLU LEU VAL          
SEQRES   2 B  156  VAL ASP PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR          
SEQRES   3 B  156  SER TRP SER GLN MET ALA ALA VAL LYS GLN ALA LEU ARG          
SEQRES   4 B  156  GLU ALA GLY ASP GLU PHE GLU LEU ARG TYR ARG ARG ALA          
SEQRES   5 B  156  PHE SER ASP LEU THR SER GLN LEU HIS ILE THR PRO GLY          
SEQRES   6 B  156  THR ALA TYR GLN SER PHE GLU GLN VAL VAL ASN GLU LEU          
SEQRES   7 B  156  PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE VAL ALA PHE          
SEQRES   8 B  156  PHE SER PHE GLY GLY ALA LEU CYS VAL GLU SER VAL ASP          
SEQRES   9 B  156  LYS GLU MET GLN VAL LEU VAL SER ARG ILE ALA ALA TRP          
SEQRES  10 B  156  MET ALA THR TYR LEU ASN ASP HIS LEU GLU PRO TRP ILE          
SEQRES  11 B  156  GLN GLU ASN GLY GLY TRP ASP THR PHE VAL GLU LEU TYR          
SEQRES  12 B  156  GLY ASN ASN ALA ALA ALA GLU SER ARG LYS GLY GLN GLU          
SEQRES   1 C   26  ASP GLY GLY ASP MET GLU ASN LEU SER ARG ARG LEU LYS          
SEQRES   2 C   26  VAL THR GLY ASP LEU PHE ASP ILE MET SER GLY GLN THR          
SEQRES   1 D   26  ASP GLY GLY ASP MET GLU ASN LEU SER ARG ARG LEU LYS          
SEQRES   2 D   26  VAL THR GLY ASP LEU PHE ASP ILE MET SER GLY GLN THR          
HET     CL  A 301       1                                                       
HET     CL  A 302       1                                                       
HET     CL  A 303       1                                                       
HETNAM      CL CHLORIDE ION                                                     
FORMUL   5   CL    3(CL 1-)                                                     
FORMUL   8  HOH   *43(H2 O)                                                     
HELIX    1 AA1 SER A    4  LYS A   20  1                                  17    
HELIX    2 AA2 SER A   25  PHE A  105  1                                  25    
HELIX    3 AA3 THR A  118  ARG A  132  1                                  15    
HELIX    4 AA4 ASN A  136  LYS A  157  1                                  22    
HELIX    5 AA5 VAL A  161  LEU A  178  1                                  18    
HELIX    6 AA6 LEU A  178  ASN A  185  1                                   8    
HELIX    7 AA7 GLY A  186  GLY A  196  1                                  11    
HELIX    8 AA8 GLY B   -1  GLY B   21  1                                  23    
HELIX    9 AA9 SER B   25  PHE B  105  1                                  25    
HELIX   10 AB1 THR B  118  ARG B  132  1                                  15    
HELIX   11 AB2 ASN B  136  LYS B  157  1                                  22    
HELIX   12 AB3 VAL B  161  LEU B  178  1                                  18    
HELIX   13 AB4 LEU B  178  GLU B  184  1                                   7    
HELIX   14 AB5 GLY B  186  GLY B  196  1                                  11    
HELIX   15 AB6 MET C  109  SER C  127  1                                  19    
HELIX   16 AB7 MET D  109  SER D  127  1                                  19    
SITE     1 AC1  2 TRP A  24  LYS A  87                                          
SITE     1 AC2  4 SER A  14  TYR A  15  SER A  18  ARG A  91                    
SITE     1 AC3  6 MET A   1  SER A   2  GLN A   3  SER A   4                    
SITE     2 AC3  6 ASN A 175  ARG B   6                                          
CRYST1  109.386  109.386   96.963  90.00  90.00  90.00 P 4 21 2     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      0.009142  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.009142  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010313        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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