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Database: PDB
Entry: 4UED
LinkDB: 4UED
Original site: 4UED 
HEADER    TRANSLATION                             16-DEC-14   4UED              
TITLE     COMPLEX OF HUMAN EIF4E WITH THE 4E BINDING PROTEIN 4E-BP1             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E;               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 36-217;                                           
COMPND   5 SYNONYM: EIF4E, EIF-4F 25 KDA SUBUNIT, MRNA CAP-BINDING PROTEIN;     
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: EUKARYOTIC TRANSLATION FACTOR 4E-BINDING PROTEIN 1;        
COMPND   9 CHAIN: B;                                                            
COMPND  10 FRAGMENT: RESIDUES 50-83;                                            
COMPND  11 SYNONYM: 4E-BP1, EIF4E-BINDING PROTEIN 1, PHOSPHORYLATED HEAT- AND   
COMPND  12  ACID-STABLE PROTEIN REGULATED BY INSULIN 1, PHAS-I;                 
COMPND  13 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VARIANT: STAR;                                     
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PETMCN (PNYC);                            
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  16 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  17 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  18 EXPRESSION_SYSTEM_VARIANT: STAR;                                     
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  20 EXPRESSION_SYSTEM_PLASMID: PETMCN (PNEA)                             
KEYWDS    TRANSLATION, GENE REGULATION, CAP BINDING PROTEIN, 4E BINDING         
KEYWDS   2 PROTEIN, TRANSLATIONAL REPRESSION                                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    D.PETER,O.WEICHENRIEDER                                               
REVDAT   4   15-APR-15 4UED    1       JRNL                                     
REVDAT   3   11-MAR-15 4UED    1       TITLE                                    
REVDAT   2   04-MAR-15 4UED    1       JRNL   ATOM                              
REVDAT   1   25-FEB-15 4UED    0                                                
JRNL        AUTH   D.PETER,C.IGREJA,R.WEBER,L.WOHLBOLD,C.WEILER,L.EBERTSCH,     
JRNL        AUTH 2 O.WEICHENRIEDER,E.IZAURRALDE                                 
JRNL        TITL   MOLECULAR ARCHITECTURE OF 4E-BP TRANSLATIONAL INHIBITORS     
JRNL        TITL 2 BOUND TO EIF4E.                                              
JRNL        REF    MOL.CELL                      V.  57  1074 2015              
JRNL        REFN                   ISSN 1097-2765                               
JRNL        PMID   25702871                                                     
JRNL        DOI    10.1016/J.MOLCEL.2015.01.017                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.75 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.9_1692)                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT 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) : 1.750                          
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 37.906                         
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.36                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.26                          
REMARK   3   NUMBER OF REFLECTIONS             : 20588                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.1946                          
REMARK   3   R VALUE            (WORKING SET) : 0.1924                          
REMARK   3   FREE R VALUE                     : 0.2368                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.3                             
REMARK   3   FREE R VALUE TEST SET COUNT      : 1083                            
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 37.9152 -  3.4993    0.97     2481   128  0.1803 0.2075        
REMARK   3     2  3.4993 -  2.7778    0.96     2459    90  0.2029 0.2583        
REMARK   3     3  2.7778 -  2.4267    0.97     2394   170  0.1960 0.2594        
REMARK   3     4  2.4267 -  2.2049    0.98     2466   117  0.1904 0.2420        
REMARK   3     5  2.2049 -  2.0469    0.96     2395   147  0.1976 0.2521        
REMARK   3     6  2.0469 -  1.9262    0.98     2442   152  0.1981 0.2617        
REMARK   3     7  1.9262 -  1.8297    0.98     2422   128  0.2064 0.2266        
REMARK   3     8  1.8297 -  1.7501    0.98     2446   151  0.2116 0.2774        
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)     : 0.20             
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.46            
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 24.27                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 32.8                           
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      :  0.004           1806                                  
REMARK   3   ANGLE     :  0.780           2449                                  
REMARK   3   CHIRALITY :  0.032            262                                  
REMARK   3   PLANARITY :  0.003            312                                  
REMARK   3   DIHEDRAL  : 11.629            679                                  
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: HYDROGENS WERE REFINED IN THE             
REMARK   3    RIDING POSITIONS. THE SIDECHAINS OF THE FOLLOWING                 
REMARK   3    RESIDUES WERE TRUNCATED AT C-BETA ATOMS. CHAIN B,                 
REMARK   3    RESIDUES 73, 74. THE FOLLOWING RESIDUES WERE MODELED AS           
REMARK   3    DOUBLE CONFORMATIONS. CHAIN A, RESIDUES 64, 92, 172. THE          
REMARK   3    FOLLOWING RESIDUES ARE DISORDERED. CHAIN A, RESIDUES 205          
REMARK   3    TO 211.                                                           
REMARK   4                                                                      
REMARK   4 4UED COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 17-DEC-14.                  
REMARK 100 THE PDBE ID CODE IS EBI-62508.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 25-AUG-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SLS                                
REMARK 200  BEAMLINE                       : X10SA                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.070                              
REMARK 200  MONOCHROMATOR                  : SI(111)                            
REMARK 200  OPTICS                         : DYNAMICALLY BENDABLE               
REMARK 200                                   MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL (PILATUS 6M)                 
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS                            
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 20595                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.75                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 37.90                              
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.0                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.9                               
REMARK 200  DATA REDUNDANCY                : 2.9                                
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.04                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 13.40                              
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.80                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.8                                
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.31                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.50                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: PDB ENTRY 4TPW CHAIN A                               
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 42                                        
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.1                      
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.03M EACH DIETHYLENE GLYCOL,            
REMARK 280  TRIETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, PENTAETHYLENE             
REMARK 280  GLYCOL, 0.1M BICINE/TRIZMA BASE PH 8.5, 12.5% PEG1000,              
REMARK 280  12.5% PEG3350, 12.5% MPD                                            
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       33.29000            
REMARK 290   SMTRY3   2  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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2440 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11310 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -14.4 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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    32                                                      
REMARK 465     THR A   205                                                      
REMARK 465     LYS A   206                                                      
REMARK 465     SER A   207                                                      
REMARK 465     GLY A   208                                                      
REMARK 465     SER A   209                                                      
REMARK 465     THR A   210                                                      
REMARK 465     THR A   211                                                      
REMARK 465     GLY B    46                                                      
REMARK 465     PRO B    47                                                      
REMARK 465     HIS B    48                                                      
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     ARG B  73    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP B  74    CG   OD1  OD2                                       
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    ASP A  67       17.27   -144.06                                   
REMARK 500    ASP A 143     -130.35     51.24                                   
REMARK 500    VAL B  81      -55.43   -128.40                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 650                                                                      
REMARK 650 HELIX                                                                
REMARK 650 DETERMINATION METHOD: AUTHOR PROVIDED.                               
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4UE8   RELATED DB: PDB                                   
REMARK 900  COMPLEX OF D. MELANOGASTER EIF-4E WITH THE 4E                       
REMARK 900  BINDING PROTEIN THOR                                                
REMARK 900 RELATED ID: 4UE9   RELATED DB: PDB                                   
REMARK 900  COMPLEX OF D. MELANOGASTER EIF-4E WITH THE 4E                       
REMARK 900  BINDING PROTEIN 4E-T                                                
REMARK 900 RELATED ID: 4UEA   RELATED DB: PDB                                   
REMARK 900  COMPLEX OF D. MELANOGASTER EIF-4E WITH A DESIGNED 4E                
REMARK 900   BINDING PROTEIN (FORM I)                                           
REMARK 900 RELATED ID: 4UEB   RELATED DB: PDB                                   
REMARK 900  COMPLEX OF D. MELANOGASTER EIF-4E WITH A DESIGNED 4E                
REMARK 900   BINDING PROTEIN (FORM II)                                          
REMARK 900 RELATED ID: 4UEC   RELATED DB: PDB                                   
REMARK 900  COMPLEX OF D. MELANOGASTER EIF-4E WITH EIF-4G AND                   
REMARK 900  CAP ANALOG                                                          
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE FIRST FOUR RESIDUES OF CHAIN A REMAIN FROM THE                   
REMARK 999 EXPRESSION TAG.                                                      
REMARK 999 THE FIRST FOUR RESIDUES OF CHAIN B REMAIN FROM THE                   
REMARK 999 EXPRESSION TAG.                                                      
DBREF  4UED A   36   217  UNP    P06730   IF4E_HUMAN      36    217             
DBREF  4UED B   50    83  UNP    Q13541   4EBP1_HUMAN     50     83             
SEQADV 4UED GLY A   32  UNP  P06730              EXPRESSION TAG                 
SEQADV 4UED PRO A   33  UNP  P06730              EXPRESSION TAG                 
SEQADV 4UED HIS A   34  UNP  P06730              EXPRESSION TAG                 
SEQADV 4UED MET A   35  UNP  P06730              EXPRESSION TAG                 
SEQADV 4UED GLY B   46  UNP  Q13541              EXPRESSION TAG                 
SEQADV 4UED PRO B   47  UNP  Q13541              EXPRESSION TAG                 
SEQADV 4UED HIS B   48  UNP  Q13541              EXPRESSION TAG                 
SEQADV 4UED MET B   49  UNP  Q13541              EXPRESSION TAG                 
SEQRES   1 A  186  GLY PRO HIS MET LYS HIS PRO LEU GLN ASN ARG TRP ALA          
SEQRES   2 A  186  LEU TRP PHE PHE LYS ASN ASP LYS SER LYS THR TRP GLN          
SEQRES   3 A  186  ALA ASN LEU ARG LEU ILE SER LYS PHE ASP THR VAL GLU          
SEQRES   4 A  186  ASP PHE TRP ALA LEU TYR ASN HIS ILE GLN LEU SER SER          
SEQRES   5 A  186  ASN LEU MET PRO GLY CYS ASP TYR SER LEU PHE LYS ASP          
SEQRES   6 A  186  GLY ILE GLU PRO MET TRP GLU ASP GLU LYS ASN LYS ARG          
SEQRES   7 A  186  GLY GLY ARG TRP LEU ILE THR LEU ASN LYS GLN GLN ARG          
SEQRES   8 A  186  ARG SER ASP LEU ASP ARG PHE TRP LEU GLU THR LEU LEU          
SEQRES   9 A  186  CYS LEU ILE GLY GLU SER PHE ASP ASP TYR SER ASP ASP          
SEQRES  10 A  186  VAL CYS GLY ALA VAL VAL ASN VAL ARG ALA LYS GLY ASP          
SEQRES  11 A  186  LYS ILE ALA ILE TRP THR THR GLU CYS GLU ASN ARG GLU          
SEQRES  12 A  186  ALA VAL THR HIS ILE GLY ARG VAL TYR LYS GLU ARG LEU          
SEQRES  13 A  186  GLY LEU PRO PRO LYS ILE VAL ILE GLY TYR GLN SER HIS          
SEQRES  14 A  186  ALA ASP THR ALA THR LYS SER GLY SER THR THR LYS ASN          
SEQRES  15 A  186  ARG PHE VAL VAL                                              
SEQRES   1 B   38  GLY PRO HIS MET THR ARG ILE ILE TYR ASP ARG LYS PHE          
SEQRES   2 B   38  LEU MET GLU CYS ARG ASN SER PRO VAL THR LYS THR PRO          
SEQRES   3 B   38  PRO ARG ASP LEU PRO THR ILE PRO GLY VAL THR SER              
FORMUL   3  HOH   *119(H2 O)                                                    
HELIX    1   1 TRP A   56  ASN A   59  1                                   4    
HELIX    2   2 VAL A   69  HIS A   78  1                                   8    
HELIX    3   3 LEU A  126  ILE A  138  1                                  13    
HELIX    4   4 ARG A  173  LEU A  187  1                                  15    
HELIX    5   5 HIS A  200  THR A  203  1                                   4    
HELIX    6   6 ARG B   56  CYS B   62  1                                   7    
SHEET    1  AA 8 LEU A  60  THR A  68  0                                        
SHEET    2  AA 8 PRO A  38  LYS A  49 -1  N  LEU A  39   O  ASP A  67           
SHEET    3  AA 8 CYS A  89  LYS A  95 -1  O  ASP A  90   N  PHE A  48           
SHEET    4  AA 8 VAL A 149  VAL A 156 -1  O  CYS A 150   N  LYS A  95           
SHEET    5  AA 8 ASP A 161  THR A 167 -1  O  LYS A 162   N  ASN A 155           
SHEET    6  AA 8 GLY A 111  LEU A 117 -1  O  GLY A 111   N  THR A 167           
SHEET    7  AA 8 GLY A 196  SER A 199 -1  O  GLY A 196   N  LEU A 114           
SHEET    8  AA 8 PHE A 215  VAL A 216 -1  O  PHE A 215   N  TYR A 197           
CRYST1   42.110   66.580   43.050  90.00 118.30  90.00 P 1 21 1      2          
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      0.023747  0.000000  0.012787        0.00000                         
SCALE2      0.000000  0.015020  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.026382        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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