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Database: PDB
Entry: 2M03
LinkDB: 2M03
Original site: 2M03 
HEADER    APOPTOSIS                               19-OCT-12   2M03              
TITLE     SOLUTION STRUCTURE OF BCL-XL DETERMINED WITH SELECTIVE ISOTOPE        
TITLE    2 LABELLING OF I,L,V SIDECHAINS                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BCL-2-LIKE PROTEIN 1;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: BCL2-L-1, APOPTOSIS REGULATOR BCL-X;                        
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 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: BCL2-LIKE 1, BCL2L, BCL2L1, BCLX;                              
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28                                     
KEYWDS    BCL-XL, PUMA, APOPTOSIS                                               
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    A.VIACAVA FOLLIS,G.ROYAPPA,R.W.KRIWACKI                               
REVDAT   4   14-JUN-23 2M03    1       REMARK SEQADV                            
REVDAT   3   06-MAR-13 2M03    1       JRNL                                     
REVDAT   2   06-FEB-13 2M03    1       JRNL                                     
REVDAT   1   30-JAN-13 2M03    0                                                
JRNL        AUTH   A.V.FOLLIS,J.E.CHIPUK,J.C.FISHER,M.K.YUN,C.R.GRACE,A.NOURSE, 
JRNL        AUTH 2 K.BARAN,L.OU,L.MIN,S.W.WHITE,D.R.GREEN,R.W.KRIWACKI          
JRNL        TITL   PUMA BINDING INDUCES PARTIAL UNFOLDING WITHIN BCL-XL TO      
JRNL        TITL 2 DISRUPT P53 BINDING AND PROMOTE APOPTOSIS.                   
JRNL        REF    NAT.CHEM.BIOL.                V.   9   163 2013              
JRNL        REFN                   ISSN 1552-4450                               
JRNL        PMID   23340338                                                     
JRNL        DOI    10.1038/NCHEMBIO.1166                                        
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : TOPSPIN, AMBER                                       
REMARK   3   AUTHORS     : BRUKER BIOSPIN (TOPSPIN), CASE, DARDEN, CHEATHAM,    
REMARK   3                 III, SIMMERLING, WANG, DUKE, LUO, ... AND KOLLM      
REMARK   3                 (AMBER)                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2M03 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-OCT-12.                  
REMARK 100 THE DEPOSITION ID IS D_1000103039.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298.1                              
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 50                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.9 MM [U-100% 13C; U-100% 15N;    
REMARK 210                                   U-95% 2H; ILE,LEU,VAL C1H3] BCL-   
REMARK 210                                   XL, 92% H2O/8% D2O                 
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;    
REMARK 210                                   3D HNCA; 3D HN(CO)CA; 3D HNCACB;   
REMARK 210                                   3D CBCA(CO)NH; 3D HNCO; 3D HN(CA)  
REMARK 210                                   CO; 3D HCCH-TOCSY; 3D 1H-15N       
REMARK 210                                   NOESY; 3D 1H-13C NOESY ALIPHATIC   
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : TOPSPIN, CARA, CYANA               
REMARK 210   METHOD USED                   : TORSION ANGLE SIMULATED            
REMARK 210                                   ANNEALING, MOLECULAR DYNAMICS      
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-20                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     HIS A   178                                                      
REMARK 465     HIS A   179                                                      
REMARK 465     HIS A   180                                                      
REMARK 465     HIS A   181                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500  7 GLU A  43   CD    GLU A  43   OE1    -0.124                       
REMARK 500  7 GLU A  43   CD    GLU A  43   OE2     0.120                       
REMARK 500 10 GLU A 117   CD    GLU A 117   OE2     0.073                       
REMARK 500 15 GLU A  93   CD    GLU A  93   OE1     0.082                       
REMARK 500 15 GLU A  93   CD    GLU A  93   OE2    -0.072                       
REMARK 500 20 GLU A  43   CD    GLU A  43   OE1    -0.117                       
REMARK 500 20 GLU A  43   CD    GLU A  43   OE2     0.115                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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  7 ASP A  59   CB  -  CG  -  OD1 ANGL. DEV. =  -6.4 DEGREES          
REMARK 500 12 ASP A  15   CB  -  CG  -  OD2 ANGL. DEV. =  -9.4 DEGREES          
REMARK 500 14 ASP A  15   CB  -  CG  -  OD2 ANGL. DEV. =  -6.8 DEGREES          
REMARK 500 14 ASP A 120   CB  -  CG  -  OD1 ANGL. DEV. =  -5.8 DEGREES          
REMARK 500 17 ASP A  59   CB  -  CG  -  OD2 ANGL. DEV. =  -6.2 DEGREES          
REMARK 500 18 ASP A  15   CB  -  CG  -  OD2 ANGL. DEV. =  -6.5 DEGREES          
REMARK 500 19 ASP A  15   CB  -  CG  -  OD2 ANGL. DEV. =  -5.7 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  1 SER A   2      130.58   -174.36                                   
REMARK 500  1 MET A   3      168.26     61.77                                   
REMARK 500  1 SER A  32       91.04    -58.42                                   
REMARK 500  1 ASP A  33       43.15     70.11                                   
REMARK 500  1 GLU A  36      -50.87   -146.05                                   
REMARK 500  1 ASN A  37      105.18     57.25                                   
REMARK 500  1 THR A  39       92.39   -176.16                                   
REMARK 500  1 ALA A  41      155.78    -46.21                                   
REMARK 500  1 PRO A  42     -172.19    -63.10                                   
REMARK 500  1 GLU A  43       62.39     68.85                                   
REMARK 500  1 THR A  45      -69.97   -155.88                                   
REMARK 500  1 GLU A  46      -72.08   -121.00                                   
REMARK 500  1 SER A  47       15.18     56.64                                   
REMARK 500  1 TYR A  65       49.66   -144.33                                   
REMARK 500  1 LEU A  76       57.62   -141.63                                   
REMARK 500  1 ILE A  78      135.83   -178.44                                   
REMARK 500  1 THR A  82      166.37    -47.64                                   
REMARK 500  1 ASP A  97       25.75   -166.73                                   
REMARK 500  1 ASN A 100      -72.45     71.07                                   
REMARK 500  1 ILE A 146      -30.26   -138.56                                   
REMARK 500  1 ARG A 173     -164.62     52.67                                   
REMARK 500  1 LEU A 174       85.23     55.55                                   
REMARK 500  2 GLN A  30      -36.91   -131.22                                   
REMARK 500  2 GLU A  35       93.90     60.85                                   
REMARK 500  2 GLU A  36       43.34   -145.03                                   
REMARK 500  2 ASN A  37       84.31   -164.93                                   
REMARK 500  2 THR A  39       90.08    178.25                                   
REMARK 500  2 ALA A  41      162.48     59.76                                   
REMARK 500  2 GLU A  43      -60.27   -172.48                                   
REMARK 500  2 SER A  47       16.40     59.03                                   
REMARK 500  2 TYR A  65      -69.85    -95.71                                   
REMARK 500  2 ARG A  66      -61.78     64.14                                   
REMARK 500  2 THR A  79      159.33     62.80                                   
REMARK 500  2 VAL A  99      -28.24   -172.83                                   
REMARK 500  2 ASN A 100      -54.36   -133.41                                   
REMARK 500  2 LEU A 138      -70.48    -66.65                                   
REMARK 500  2 ILE A 146      -30.47   -136.37                                   
REMARK 500  2 ASN A 162       96.49   -160.46                                   
REMARK 500  2 GLN A 171       87.64     55.26                                   
REMARK 500  3 SER A   2      -52.53   -178.12                                   
REMARK 500  3 SER A  32      166.64    -49.96                                   
REMARK 500  3 VAL A  34      -38.82   -147.19                                   
REMARK 500  3 GLU A  35      171.65     58.10                                   
REMARK 500  3 GLU A  36      -34.71   -169.22                                   
REMARK 500  3 ASN A  37      161.51     59.38                                   
REMARK 500  3 PRO A  42     -169.62    -64.45                                   
REMARK 500  3 GLU A  43       63.51     62.05                                   
REMARK 500  3 GLU A  46       31.26    -89.36                                   
REMARK 500  3 SER A  47       12.36   -150.67                                   
REMARK 500  3 TYR A  65      -71.94   -112.62                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     397 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 GLU A  60         0.12    SIDE CHAIN                              
REMARK 500  2 GLU A  36         0.07    SIDE CHAIN                              
REMARK 500  2 GLU A  40         0.08    SIDE CHAIN                              
REMARK 500  2 GLU A  56         0.08    SIDE CHAIN                              
REMARK 500  2 GLU A  60         0.10    SIDE CHAIN                              
REMARK 500  2 GLU A  62         0.09    SIDE CHAIN                              
REMARK 500  3 ASP A  15         0.10    SIDE CHAIN                              
REMARK 500  3 GLU A  62         0.08    SIDE CHAIN                              
REMARK 500  3 GLU A 166         0.10    SIDE CHAIN                              
REMARK 500  4 GLU A  35         0.07    SIDE CHAIN                              
REMARK 500  4 GLU A  60         0.07    SIDE CHAIN                              
REMARK 500  4 GLU A  62         0.08    SIDE CHAIN                              
REMARK 500  4 ASP A 120         0.08    SIDE CHAIN                              
REMARK 500  4 ASP A 140         0.08    SIDE CHAIN                              
REMARK 500  5 ASP A  15         0.10    SIDE CHAIN                              
REMARK 500  5 ASP A  33         0.10    SIDE CHAIN                              
REMARK 500  5 GLU A  62         0.10    SIDE CHAIN                              
REMARK 500  5 ASP A  71         0.07    SIDE CHAIN                              
REMARK 500  5 TYR A 159         0.07    SIDE CHAIN                              
REMARK 500  6 ASP A  15         0.10    SIDE CHAIN                              
REMARK 500  6 GLU A  35         0.07    SIDE CHAIN                              
REMARK 500  6 GLU A  43         0.07    SIDE CHAIN                              
REMARK 500  6 GLU A  60         0.08    SIDE CHAIN                              
REMARK 500  6 GLU A  62         0.10    SIDE CHAIN                              
REMARK 500  7 GLU A  11         0.11    SIDE CHAIN                              
REMARK 500  7 GLU A  35         0.09    SIDE CHAIN                              
REMARK 500  7 GLU A  36         0.09    SIDE CHAIN                              
REMARK 500  7 ASP A  59         0.12    SIDE CHAIN                              
REMARK 500  7 GLU A 166         0.14    SIDE CHAIN                              
REMARK 500  8 GLU A  11         0.08    SIDE CHAIN                              
REMARK 500  8 TYR A  26         0.07    SIDE CHAIN                              
REMARK 500  8 GLU A  60         0.07    SIDE CHAIN                              
REMARK 500  8 GLU A  62         0.09    SIDE CHAIN                              
REMARK 500  9 GLU A  11         0.08    SIDE CHAIN                              
REMARK 500  9 ASP A  59         0.07    SIDE CHAIN                              
REMARK 500  9 TYR A  65         0.08    SIDE CHAIN                              
REMARK 500  9 GLU A 172         0.08    SIDE CHAIN                              
REMARK 500 10 GLU A  36         0.10    SIDE CHAIN                              
REMARK 500 10 GLU A  40         0.07    SIDE CHAIN                              
REMARK 500 10 GLU A  43         0.07    SIDE CHAIN                              
REMARK 500 10 GLU A  48         0.07    SIDE CHAIN                              
REMARK 500 10 GLU A  56         0.09    SIDE CHAIN                              
REMARK 500 10 ASP A  59         0.10    SIDE CHAIN                              
REMARK 500 10 GLU A 172         0.08    SIDE CHAIN                              
REMARK 500 11 ASP A  33         0.07    SIDE CHAIN                              
REMARK 500 11 GLU A  36         0.08    SIDE CHAIN                              
REMARK 500 11 GLU A 122         0.09    SIDE CHAIN                              
REMARK 500 11 GLN A 147         0.07    SIDE CHAIN                              
REMARK 500 12 ASP A  15         0.08    SIDE CHAIN                              
REMARK 500 12 GLU A  48         0.08    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     101 PLANE DEVIATIONS.                             
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500  1 GLU A  11        -11.40                                           
REMARK 500  1 ARG A  64        -13.39                                           
REMARK 500  1 TYR A  65        -10.98                                           
REMARK 500  1 ASN A 100        -13.33                                           
REMARK 500  1 GLN A 124        -10.13                                           
REMARK 500  1 ASP A 153        -10.22                                           
REMARK 500  2 GLY A  25         11.59                                           
REMARK 500  2 GLU A  40        -12.76                                           
REMARK 500  2 ASN A 100        -10.41                                           
REMARK 500  3 GLU A  11        -12.96                                           
REMARK 500  3 ALA A 165        -13.99                                           
REMARK 500  4 ASN A 100        -12.42                                           
REMARK 500  5 GLU A  11        -12.74                                           
REMARK 500  5 PRO A  42        -10.45                                           
REMARK 500  5 ASN A 100        -10.96                                           
REMARK 500  5 ASP A 153        -10.35                                           
REMARK 500  5 ARG A 173        -12.07                                           
REMARK 500  5 GLU A 175         11.00                                           
REMARK 500  6 ASP A  59        -10.48                                           
REMARK 500  6 ASN A 100        -12.17                                           
REMARK 500  6 GLU A 175        -12.91                                           
REMARK 500  7 GLU A  11        -13.31                                           
REMARK 500  7 GLN A  52        -10.43                                           
REMARK 500  7 GLU A  56        -12.29                                           
REMARK 500  7 ASN A 100        -11.83                                           
REMARK 500  7 ALA A 165        -10.72                                           
REMARK 500  7 GLY A 170        -10.50                                           
REMARK 500  8 SER A  18        -10.22                                           
REMARK 500  9 ARG A  66        -12.22                                           
REMARK 500  9 ARG A 173        -12.38                                           
REMARK 500 10 LEU A  21        -11.47                                           
REMARK 500 10 TYR A  26         10.24                                           
REMARK 500 10 TYR A  84        -10.01                                           
REMARK 500 10 ASN A 100        -10.90                                           
REMARK 500 10 ARG A 173        -12.22                                           
REMARK 500 11 ARG A  66         10.49                                           
REMARK 500 12 MET A   1         11.55                                           
REMARK 500 12 GLN A   7        -10.39                                           
REMARK 500 12 GLU A  11        -11.03                                           
REMARK 500 12 SER A  27        -10.52                                           
REMARK 500 12 ASN A 100        -12.16                                           
REMARK 500 12 ASN A 161        -10.48                                           
REMARK 500 13 THR A  82         10.16                                           
REMARK 500 13 ASN A 100        -10.37                                           
REMARK 500 14 GLU A  11        -11.28                                           
REMARK 500 14 ASN A 100        -10.99                                           
REMARK 500 15 GLU A  11        -11.35                                           
REMARK 500 15 ARG A  38        -14.27                                           
REMARK 500 15 ARG A  67        -12.75                                           
REMARK 500 15 GLY A 160        -11.81                                           
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      74 MAIN CHAIN PLANARITY DEVIATIONS.              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2M04   RELATED DB: PDB                                   
REMARK 900 SOLUTION STRUCTURE OF BCL-XL IN COMPLEX WITH PUMA BH3 PEPTIDE        
REMARK 900 RELATED ID: 4HNJ   RELATED DB: PDB                                   
REMARK 900 CRYSTALLOGRAPHIC STRUCTURE OF BCL-XL DOMAIN-SWAPPED DIMER IN         
REMARK 900 COMPLEX WITH PUMA BH3 PEPTIDE AT 2.9A RESOLUTION                     
REMARK 900 RELATED ID: 18792   RELATED DB: BMRB                                 
DBREF  2M03 A    5   173  UNP    Q07817   B2CL1_HUMAN      1    209             
SEQADV 2M03 MET A    1  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 SER A    2  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 MET A    3  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 ALA A    4  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03     A       UNP  Q07817    MET    45 DELETION                       
SEQADV 2M03     A       UNP  Q07817    GLU    46 DELETION                       
SEQADV 2M03     A       UNP  Q07817    THR    47 DELETION                       
SEQADV 2M03     A       UNP  Q07817    PRO    48 DELETION                       
SEQADV 2M03     A       UNP  Q07817    SER    49 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ALA    50 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ILE    51 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ASN    52 DELETION                       
SEQADV 2M03     A       UNP  Q07817    GLY    53 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ASN    54 DELETION                       
SEQADV 2M03     A       UNP  Q07817    PRO    55 DELETION                       
SEQADV 2M03     A       UNP  Q07817    SER    56 DELETION                       
SEQADV 2M03     A       UNP  Q07817    TRP    57 DELETION                       
SEQADV 2M03     A       UNP  Q07817    HIS    58 DELETION                       
SEQADV 2M03     A       UNP  Q07817    LEU    59 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ALA    60 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ASP    61 DELETION                       
SEQADV 2M03     A       UNP  Q07817    SER    62 DELETION                       
SEQADV 2M03     A       UNP  Q07817    PRO    63 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ALA    64 DELETION                       
SEQADV 2M03     A       UNP  Q07817    VAL    65 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ASN    66 DELETION                       
SEQADV 2M03     A       UNP  Q07817    GLY    67 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ALA    68 DELETION                       
SEQADV 2M03     A       UNP  Q07817    THR    69 DELETION                       
SEQADV 2M03     A       UNP  Q07817    GLY    70 DELETION                       
SEQADV 2M03     A       UNP  Q07817    HIS    71 DELETION                       
SEQADV 2M03     A       UNP  Q07817    SER    72 DELETION                       
SEQADV 2M03     A       UNP  Q07817    SER    73 DELETION                       
SEQADV 2M03     A       UNP  Q07817    SER    74 DELETION                       
SEQADV 2M03     A       UNP  Q07817    LEU    75 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ASP    76 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ALA    77 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ARG    78 DELETION                       
SEQADV 2M03     A       UNP  Q07817    GLU    79 DELETION                       
SEQADV 2M03     A       UNP  Q07817    VAL    80 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ILE    81 DELETION                       
SEQADV 2M03     A       UNP  Q07817    PRO    82 DELETION                       
SEQADV 2M03     A       UNP  Q07817    MET    83 DELETION                       
SEQADV 2M03     A       UNP  Q07817    ALA    84 DELETION                       
SEQADV 2M03 LEU A  174  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 GLU A  175  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 HIS A  176  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 HIS A  177  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 HIS A  178  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 HIS A  179  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 HIS A  180  UNP  Q07817              EXPRESSION TAG                 
SEQADV 2M03 HIS A  181  UNP  Q07817              EXPRESSION TAG                 
SEQRES   1 A  181  MET SER MET ALA MET SER GLN SER ASN ARG GLU LEU VAL          
SEQRES   2 A  181  VAL ASP PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR          
SEQRES   3 A  181  SER TRP SER GLN PHE SER ASP VAL GLU GLU ASN ARG THR          
SEQRES   4 A  181  GLU ALA PRO GLU GLY THR GLU SER GLU ALA VAL LYS GLN          
SEQRES   5 A  181  ALA LEU ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG TYR          
SEQRES   6 A  181  ARG ARG ALA PHE SER ASP LEU THR SER GLN LEU HIS ILE          
SEQRES   7 A  181  THR PRO GLY THR ALA TYR GLN SER PHE GLU GLN VAL VAL          
SEQRES   8 A  181  ASN GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE          
SEQRES   9 A  181  VAL ALA PHE PHE SER PHE GLY GLY ALA LEU CYS VAL GLU          
SEQRES  10 A  181  SER VAL ASP LYS GLU MET GLN VAL LEU VAL SER ARG ILE          
SEQRES  11 A  181  ALA ALA TRP MET ALA THR TYR LEU ASN ASP HIS LEU GLU          
SEQRES  12 A  181  PRO TRP ILE GLN GLU ASN GLY GLY TRP ASP THR PHE VAL          
SEQRES  13 A  181  GLU LEU TYR GLY ASN ASN ALA ALA ALA GLU SER ARG LYS          
SEQRES  14 A  181  GLY GLN GLU ARG LEU GLU HIS HIS HIS HIS HIS HIS              
HELIX    1   1 MET A    5  LYS A   24  1                                  20    
HELIX    2   2 SER A   27  PHE A   31  5                                   5    
HELIX    3   3 SER A   47  TYR A   65  1                                  19    
HELIX    4   4 TYR A   65  LEU A   76  1                                  12    
HELIX    5   5 ALA A   83  PHE A   95  1                                  13    
HELIX    6   6 GLY A  102  LYS A  121  1                                  20    
HELIX    7   7 MET A  123  GLY A  151  1                                  29    
HELIX    8   8 GLY A  151  LEU A  158  1                                   8    
HELIX    9   9 ALA A  163  ARG A  168  1                                   6    
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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