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Database: PDB
Entry: 4NRI
LinkDB: 4NRI
Original site: 4NRI 
HEADER    LIGASE                                  26-NOV-13   4NRI              
TITLE     CRYSTAL STRUCTURE OF A HUMAN MMS2/UBC13 A122G MUTANT                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 VARIANT 2;                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: DDVIT 1, ENTEROCYTE DIFFERENTIATION-ASSOCIATED FACTOR 1,    
COMPND   5 EDAF-1, ENTEROCYTE DIFFERENTIATION-PROMOTING FACTOR 1, EDPF-1, MMS2  
COMPND   6 HOMOLOG, VITAMIN D3-INDUCIBLE PROTEIN;                               
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 N;                         
COMPND  10 CHAIN: B;                                                            
COMPND  11 SYNONYM: BENDLESS-LIKE UBIQUITIN-CONJUGATING ENZYME, UBC13, UBCH13,  
COMPND  12 UBIQUITIN CARRIER PROTEIN N, UBIQUITIN-PROTEIN LIGASE N;             
COMPND  13 EC: 6.3.2.19;                                                        
COMPND  14 ENGINEERED: YES;                                                     
COMPND  15 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: MMS2, UBE2V2, UEV2;                                            
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)-RIPL;                            
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PHIS-P1;                                  
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 GENE: BLU, UBE2N;                                                    
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)-RIPL;                            
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  20 EXPRESSION_SYSTEM_PLASMID: PHIS-P1                                   
KEYWDS    UBC13, MMS2, E2, UBIQUITIN CONJUGATING ENZYME, LIGASE                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.D.HODGE,R.A.EDWARDS,J.N.M.GLOVER                                    
REVDAT   2   31-DEC-14 4NRI    1       JRNL                                     
REVDAT   1   10-DEC-14 4NRI    0                                                
JRNL        AUTH   M.K.ROUT,C.D.HODGE,C.J.MARKIN,X.XU,J.N.GLOVER,W.XIAO,        
JRNL        AUTH 2 L.SPYRACOPOULOS                                              
JRNL        TITL   STOCHASTIC GATE DYNAMICS REGULATE THE CATALYTIC ACTIVITY OF  
JRNL        TITL 2 UBIQUITINATION ENZYMES.                                      
JRNL        REF    J.AM.CHEM.SOC.                V. 136 17446 2014              
JRNL        REFN                   ISSN 0002-7863                               
JRNL        PMID   25423605                                                     
JRNL        DOI    10.1021/JA505440B                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.1_1168)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 25.09                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.380                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 14190                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.188                           
REMARK   3   R VALUE            (WORKING SET) : 0.186                           
REMARK   3   FREE R VALUE                     : 0.235                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.200                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 738                             
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 25.0960 -  3.9225    0.94     2758   141  0.1486 0.1815        
REMARK   3     2  3.9225 -  3.1153    0.96     2706   134  0.1778 0.2261        
REMARK   3     3  3.1153 -  2.7220    0.97     2688   164  0.2150 0.2947        
REMARK   3     4  2.7220 -  2.4734    0.98     2708   163  0.2386 0.2751        
REMARK   3     5  2.4734 -  2.2962    0.95     2592   136  0.2544 0.2961        
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)     : 0.270            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.100           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 34.78                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 36.15                          
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           2362                                  
REMARK   3   ANGLE     :  0.864           3208                                  
REMARK   3   CHIRALITY :  0.058            345                                  
REMARK   3   PLANARITY :  0.004            421                                  
REMARK   3   DIHEDRAL  : 13.263            917                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: all                                                    
REMARK   3    ORIGIN FOR THE GROUP (A):  23.5654  23.6888  22.9088              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1905 T22:   0.2519                                     
REMARK   3      T33:   0.2261 T12:   0.0433                                     
REMARK   3      T13:   0.0210 T23:   0.0343                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7717 L22:   1.2945                                     
REMARK   3      L33:   2.1467 L12:   0.5392                                     
REMARK   3      L13:   1.4371 L23:   0.7153                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0065 S12:  -0.1151 S13:  -0.1003                       
REMARK   3      S21:   0.2743 S22:   0.0212 S23:  -0.1500                       
REMARK   3      S31:   0.0973 S32:   0.0526 S33:  -0.0246                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4NRI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-NOV-13.                  
REMARK 100 THE RCSB ID CODE IS RCSB083565.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 04-FEB-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.8                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RUH3R                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV++                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 14213                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
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     (%) : 96.2                               
REMARK 200  DATA REDUNDANCY                : 3.800                              
REMARK 200  R MERGE                    (I) : 0.14900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.34                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 89.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.55100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1J7D                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 49.39                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 8000, 0.1 M SODIUM CITRATE, PH   
REMARK 280  6.8, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       21.80600            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       46.47500            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       39.09350            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       46.47500            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       21.80600            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       39.09350            
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1760 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 15050 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 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    -2                                                      
REMARK 465     PRO A    -1                                                      
REMARK 465     LEU A     0                                                      
REMARK 465     GLY A     1                                                      
REMARK 465     SER A     2                                                      
REMARK 465     PRO A     3                                                      
REMARK 465     GLU A     4                                                      
REMARK 465     PHE A     5                                                      
REMARK 465     GLY B    -5                                                      
REMARK 465     PRO B    -4                                                      
REMARK 465     LEU B    -3                                                      
REMARK 465     GLY B    -2                                                      
REMARK 465     SER B    -1                                                      
REMARK 465     PRO B     0                                                      
REMARK 465     GLU B     1                                                      
REMARK 465     PHE B     2                                                      
REMARK 465     ASP B   119                                                      
REMARK 465     PRO B   120                                                      
REMARK 465     LEU B   121                                                      
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    PRO B  63       31.42    -96.97                                   
REMARK 500    LYS B  92      -97.93   -147.81                                   
REMARK 500    ASN B 123      134.29    174.85                                   
REMARK 500    ASN B 132       80.03   -155.71                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 201                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4NR3   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4NRG   RELATED DB: PDB                                   
DBREF  4NRI A    6   145  UNP    Q15819   UB2V2_HUMAN      6    145             
DBREF  4NRI B    3   150  UNP    P61088   UBE2N_HUMAN      3    150             
SEQADV 4NRI GLY A   -2  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4NRI PRO A   -1  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4NRI LEU A    0  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4NRI GLY A    1  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4NRI SER A    2  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4NRI PRO A    3  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4NRI GLU A    4  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4NRI PHE A    5  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4NRI GLY B   -5  UNP  P61088              EXPRESSION TAG                 
SEQADV 4NRI PRO B   -4  UNP  P61088              EXPRESSION TAG                 
SEQADV 4NRI LEU B   -3  UNP  P61088              EXPRESSION TAG                 
SEQADV 4NRI GLY B   -2  UNP  P61088              EXPRESSION TAG                 
SEQADV 4NRI SER B   -1  UNP  P61088              EXPRESSION TAG                 
SEQADV 4NRI PRO B    0  UNP  P61088              EXPRESSION TAG                 
SEQADV 4NRI GLU B    1  UNP  P61088              EXPRESSION TAG                 
SEQADV 4NRI PHE B    2  UNP  P61088              EXPRESSION TAG                 
SEQADV 4NRI GLY B  122  UNP  P61088    ALA   122 ENGINEERED MUTATION            
SEQRES   1 A  148  GLY PRO LEU GLY SER PRO GLU PHE GLY VAL LYS VAL PRO          
SEQRES   2 A  148  ARG ASN PHE ARG LEU LEU GLU GLU LEU GLU GLU GLY GLN          
SEQRES   3 A  148  LYS GLY VAL GLY ASP GLY THR VAL SER TRP GLY LEU GLU          
SEQRES   4 A  148  ASP ASP GLU ASP MET THR LEU THR ARG TRP THR GLY MET          
SEQRES   5 A  148  ILE ILE GLY PRO PRO ARG THR ASN TYR GLU ASN ARG ILE          
SEQRES   6 A  148  TYR SER LEU LYS VAL GLU CYS GLY PRO LYS TYR PRO GLU          
SEQRES   7 A  148  ALA PRO PRO SER VAL ARG PHE VAL THR LYS ILE ASN MET          
SEQRES   8 A  148  ASN GLY ILE ASN ASN SER SER GLY MET VAL ASP ALA ARG          
SEQRES   9 A  148  SER ILE PRO VAL LEU ALA LYS TRP GLN ASN SER TYR SER          
SEQRES  10 A  148  ILE LYS VAL VAL LEU GLN GLU LEU ARG ARG LEU MET MET          
SEQRES  11 A  148  SER LYS GLU ASN MET LYS LEU PRO GLN PRO PRO GLU GLY          
SEQRES  12 A  148  GLN THR TYR ASN ASN                                          
SEQRES   1 B  156  GLY PRO LEU GLY SER PRO GLU PHE GLY LEU PRO ARG ARG          
SEQRES   2 B  156  ILE ILE LYS GLU THR GLN ARG LEU LEU ALA GLU PRO VAL          
SEQRES   3 B  156  PRO GLY ILE LYS ALA GLU PRO ASP GLU SER ASN ALA ARG          
SEQRES   4 B  156  TYR PHE HIS VAL VAL ILE ALA GLY PRO GLN ASP SER PRO          
SEQRES   5 B  156  PHE GLU GLY GLY THR PHE LYS LEU GLU LEU PHE LEU PRO          
SEQRES   6 B  156  GLU GLU TYR PRO MET ALA ALA PRO LYS VAL ARG PHE MET          
SEQRES   7 B  156  THR LYS ILE TYR HIS PRO ASN VAL ASP LYS LEU GLY ARG          
SEQRES   8 B  156  ILE CYS LEU ASP ILE LEU LYS ASP LYS TRP SER PRO ALA          
SEQRES   9 B  156  LEU GLN ILE ARG THR VAL LEU LEU SER ILE GLN ALA LEU          
SEQRES  10 B  156  LEU SER ALA PRO ASN PRO ASP ASP PRO LEU GLY ASN ASP          
SEQRES  11 B  156  VAL ALA GLU GLN TRP LYS THR ASN GLU ALA GLN ALA ILE          
SEQRES  12 B  156  GLU THR ALA ARG ALA TRP THR ARG LEU TYR ALA MET ASN          
HET    GOL  A 201       6                                                       
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   3  GOL    C3 H8 O3                                                     
FORMUL   4  HOH   *82(H2 O)                                                     
HELIX    1   1 PRO A   10  GLY A   25  1                                  16    
HELIX    2   2 ASP A   99  SER A  102  5                                   4    
HELIX    3   3 ILE A  103  LYS A  108  1                                   6    
HELIX    4   4 SER A  114  MET A  126  1                                  13    
HELIX    5   5 PRO B    5  GLU B   18  1                                  14    
HELIX    6   6 LEU B   88  LYS B   92  5                                   5    
HELIX    7   7 GLN B  100  ALA B  114  1                                  15    
HELIX    8   8 ASN B  123  ASN B  132  1                                  10    
HELIX    9   9 ASN B  132  ALA B  148  1                                  17    
SHEET    1   A 4 VAL A  31  LEU A  35  0                                        
SHEET    2   A 4 ARG A  45  ILE A  51 -1  O  THR A  47   N  GLY A  34           
SHEET    3   A 4 ILE A  62  GLU A  68 -1  O  LEU A  65   N  GLY A  48           
SHEET    4   A 4 SER A  79  PHE A  82 -1  O  SER A  79   N  GLU A  68           
SHEET    1   B 4 ILE B  23  ASP B  28  0                                        
SHEET    2   B 4 ASN B  31  ALA B  40 -1  O  TYR B  34   N  ASP B  28           
SHEET    3   B 4 THR B  51  PHE B  57 -1  O  LEU B  56   N  PHE B  35           
SHEET    4   B 4 LYS B  68  PHE B  71 -1  O  LYS B  68   N  PHE B  57           
CISPEP   1 TYR A   73    PRO A   74          0        -0.18                     
CISPEP   2 TYR B   62    PRO B   63          0         4.57                     
SITE     1 AC1  9 GLY A  22  GLY A  25  VAL A  26  GLY A  29                    
SITE     2 AC1  9 VAL A  31  SER A  32  GLN A 136  PRO A 137                    
SITE     3 AC1  9 HOH A 355                                                     
CRYST1   43.612   78.187   92.950  90.00  90.00  90.00 P 21 21 21    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      0.022929  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.012790  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010758        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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