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Database: PDB
Entry: 2PE6
LinkDB: 2PE6
Original site: 2PE6 
HEADER    PROTEIN BINDING, LIGASE                 02-APR-07   2PE6              
TITLE     NON-COVALENT COMPLEX BETWEEN HUMAN SUMO-1 AND HUMAN UBC9              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SUMO-CONJUGATING ENZYME UBC9;                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: SUMO-PROTEIN LIGASE, UBIQUITIN-CONJUGATING ENZYME E2 I,     
COMPND   5 UBIQUITIN-PROTEIN LIGASE I, UBIQUITIN CARRIER PROTEIN I, UBIQUITIN   
COMPND   6 CARRIER PROTEIN 9, P18;                                              
COMPND   7 EC: 6.3.2.-;                                                         
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: SMALL UBIQUITIN-RELATED MODIFIER 1;                        
COMPND  11 CHAIN: B;                                                            
COMPND  12 SYNONYM: SUMO-1, SENTRIN, UBIQUITIN-LIKE PROTEIN SMT3C, SMT3 HOMOLOG 
COMPND  13 3, UBIQUITIN-HOMOLOGY DOMAIN PROTEIN PIC1, UBIQUITIN-LIKE PROTEIN    
COMPND  14 UBL1, GAP-MODIFYING PROTEIN 1, GMP1;                                 
COMPND  15 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: UBE2I, UBC9, UBCE9;                                            
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
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: PET28B;                                   
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 GENE: SUMO1, SMT3C, SMT3H3, UBL1;                                    
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  20 EXPRESSION_SYSTEM_PLASMID: PET28B                                    
KEYWDS    SUMO, UBIQUITIN-LIKE, CONJUGATION, SMT3, UBC9, PROTEIN BINDING,       
KEYWDS   2 LIGASE                                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.D.CAPILI,C.D.LIMA                                                   
REVDAT   4   18-OCT-17 2PE6    1       REMARK                                   
REVDAT   3   24-FEB-09 2PE6    1       VERSN                                    
REVDAT   2   05-JUN-07 2PE6    1       JRNL                                     
REVDAT   1   17-APR-07 2PE6    0                                                
JRNL        AUTH   A.D.CAPILI,C.D.LIMA                                          
JRNL        TITL   STRUCTURE AND ANALYSIS OF A COMPLEX BETWEEN SUMO AND UBC9    
JRNL        TITL 2 ILLUSTRATES FEATURES OF A CONSERVED E2-UBL INTERACTION.      
JRNL        REF    J.MOL.BIOL.                   V. 369   608 2007              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   17466333                                                     
JRNL        DOI    10.1016/J.JMB.2007.04.006                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.40 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.47                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 228860.344                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 96.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 11127                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.225                           
REMARK   3   FREE R VALUE                     : 0.250                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 561                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.011                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 10                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.40                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.49                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 92.80                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 1004                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3240                       
REMARK   3   BIN FREE R VALUE                    : 0.3410                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 3.80                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 40                           
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.054                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1893                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 67                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 66.40                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 5.94000                                              
REMARK   3    B22 (A**2) : -2.90000                                             
REMARK   3    B33 (A**2) : -3.04000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.32                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.39                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.34                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.42                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.006                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.100                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 22.90                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.760                           
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.620 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 2.810 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.820 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 4.130 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.29                                                 
REMARK   3   BSOL        : 33.55                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED                   
REMARK   4                                                                      
REMARK   4 2PE6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-APR-07.                  
REMARK 100 THE DEPOSITION ID IS D_1000042277.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 19-NOV-05                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 8.50                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97950                            
REMARK 200  MONOCHROMATOR                  : KOHZU HLD8-24                      
REMARK 200  OPTICS                         : KB FOCUSING MIRROR                 
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 11142                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.400                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.5                               
REMARK 200  DATA REDUNDANCY                : 5.200                              
REMARK 200  R MERGE                    (I) : 0.05900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 20.8000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.49                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 92.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.10                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.33800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.900                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1A3S                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 48.03                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.37                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM TRIS-HCL, PH 8.5, 25% PEG 3000,   
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K, PH 8.50            
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 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   -X+1/2,Y+1/2,-Z                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000       43.35000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       19.30000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       43.35000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       19.30000            
REMARK 290   SMTRY3   4  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 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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A 165  LIES ON A SPECIAL POSITION.                          
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     MET B     1                                                      
REMARK 465     SER B     2                                                      
REMARK 465     ASP B     3                                                      
REMARK 465     GLN B     4                                                      
REMARK 465     GLU B     5                                                      
REMARK 465     ALA B     6                                                      
REMARK 465     LYS B     7                                                      
REMARK 465     PRO B     8                                                      
REMARK 465     SER B     9                                                      
REMARK 465     THR B    10                                                      
REMARK 465     GLU B    11                                                      
REMARK 465     ASP B    12                                                      
REMARK 465     LEU B    13                                                      
REMARK 465     GLY B    14                                                      
REMARK 465     ASP B    15                                                      
REMARK 465     LYS B    16                                                      
REMARK 465     LYS B    17                                                      
REMARK 465     GLU B    18                                                      
REMARK 465     GLY B    19                                                      
REMARK 465     GLU B    20                                                      
REMARK 465     THR B    95                                                      
REMARK 465     GLY B    96                                                      
REMARK 465     GLY B    97                                                      
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     TYR B  21    CG   CD1  CD2  CE1  CE2  CZ   OH                    
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  33      -80.75    -84.46                                   
REMARK 500    HIS A  83      141.25   -172.03                                   
REMARK 500    LYS A 101     -122.36   -133.39                                   
REMARK 500    ASN A 140       79.47   -161.14                                   
REMARK 500    GLN B  55      -91.82    -59.56                                   
REMARK 500    PRO B  58      150.50    -48.02                                   
REMARK 500    ASN B  60       40.95    -77.49                                   
REMARK 500    ASN B  74        9.12    -69.47                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1A3S   RELATED DB: PDB                                   
REMARK 900 HUMAN UBC9                                                           
DBREF  2PE6 A    1   158  UNP    P63279   UBC9_HUMAN       1    158             
DBREF  2PE6 B    1    97  UNP    P63165   SUMO1_HUMAN      1     97             
SEQADV 2PE6 GLY A   -2  UNP  P63279              CLONING ARTIFACT               
SEQADV 2PE6 SER A   -1  UNP  P63279              CLONING ARTIFACT               
SEQADV 2PE6 HIS A    0  UNP  P63279              CLONING ARTIFACT               
SEQRES   1 A  161  GLY SER HIS MET SER GLY ILE ALA LEU SER ARG LEU ALA          
SEQRES   2 A  161  GLN GLU ARG LYS ALA TRP ARG LYS ASP HIS PRO PHE GLY          
SEQRES   3 A  161  PHE VAL ALA VAL PRO THR LYS ASN PRO ASP GLY THR MET          
SEQRES   4 A  161  ASN LEU MET ASN TRP GLU CYS ALA ILE PRO GLY LYS LYS          
SEQRES   5 A  161  GLY THR PRO TRP GLU GLY GLY LEU PHE LYS LEU ARG MET          
SEQRES   6 A  161  LEU PHE LYS ASP ASP TYR PRO SER SER PRO PRO LYS CYS          
SEQRES   7 A  161  LYS PHE GLU PRO PRO LEU PHE HIS PRO ASN VAL TYR PRO          
SEQRES   8 A  161  SER GLY THR VAL CYS LEU SER ILE LEU GLU GLU ASP LYS          
SEQRES   9 A  161  ASP TRP ARG PRO ALA ILE THR ILE LYS GLN ILE LEU LEU          
SEQRES  10 A  161  GLY ILE GLN GLU LEU LEU ASN GLU PRO ASN ILE GLN ASP          
SEQRES  11 A  161  PRO ALA GLN ALA GLU ALA TYR THR ILE TYR CYS GLN ASN          
SEQRES  12 A  161  ARG VAL GLU TYR GLU LYS ARG VAL ARG ALA GLN ALA LYS          
SEQRES  13 A  161  LYS PHE ALA PRO SER                                          
SEQRES   1 B   97  MET SER ASP GLN GLU ALA LYS PRO SER THR GLU ASP LEU          
SEQRES   2 B   97  GLY ASP LYS LYS GLU GLY GLU TYR ILE LYS LEU LYS VAL          
SEQRES   3 B   97  ILE GLY GLN ASP SER SER GLU ILE HIS PHE LYS VAL LYS          
SEQRES   4 B   97  MET THR THR HIS LEU LYS LYS LEU LYS GLU SER TYR CYS          
SEQRES   5 B   97  GLN ARG GLN GLY VAL PRO MET ASN SER LEU ARG PHE LEU          
SEQRES   6 B   97  PHE GLU GLY GLN ARG ILE ALA ASP ASN HIS THR PRO LYS          
SEQRES   7 B   97  GLU LEU GLY MET GLU GLU GLU ASP VAL ILE GLU VAL TYR          
SEQRES   8 B   97  GLN GLU GLN THR GLY GLY                                      
FORMUL   3  HOH   *67(H2 O)                                                     
HELIX    1   1 SER A    2  ASP A   19  1                                  18    
HELIX    2   2 LEU A   94  GLU A   98  5                                   5    
HELIX    3   3 THR A  108  GLU A  122  1                                  15    
HELIX    4   4 GLN A  130  ASN A  140  1                                  11    
HELIX    5   5 ASN A  140  PHE A  155  1                                  16    
HELIX    6   6 HIS B   43  GLY B   56  1                                  14    
HELIX    7   7 PRO B   58  ASN B   60  5                                   3    
SHEET    1   A 4 VAL A  25  LYS A  30  0                                        
SHEET    2   A 4 MET A  36  PRO A  46 -1  O  ASN A  37   N  THR A  29           
SHEET    3   A 4 LEU A  57  LEU A  63 -1  O  MET A  62   N  TRP A  41           
SHEET    4   A 4 LYS A  74  PHE A  77 -1  O  LYS A  74   N  LEU A  63           
SHEET    1   B 5 ILE B  34  VAL B  38  0                                        
SHEET    2   B 5 ILE B  22  GLY B  28 -1  N  VAL B  26   O  ILE B  34           
SHEET    3   B 5 ASP B  86  GLN B  92  1  O  ILE B  88   N  LYS B  25           
SHEET    4   B 5 LEU B  62  PHE B  66 -1  N  ARG B  63   O  TYR B  91           
SHEET    5   B 5 GLN B  69  ARG B  70 -1  O  GLN B  69   N  PHE B  66           
CISPEP   1 TYR A   68    PRO A   69          0         0.44                     
CISPEP   2 GLU A   78    PRO A   79          0         0.34                     
CRYST1   86.700   38.600   83.400  90.00  90.00  90.00 P 21 21 2     4          
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      0.011534  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.025907  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011990        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system