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LongText Report for: 5g5c-pdb

Name Class
5g5c-pdb
HEADER    STRUCTURAL PROTEIN                      23-MAY-16   5G5C              
TITLE     STRUCTURE OF THE PYROCOCCUS FURIOSUS ESTERASE PF2001 WITH SPACE GROUP 
TITLE    2 C2221                                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ESTERASE;                                                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: YES, UNP RESIDUES 21-288;                                  
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS;                            
SOURCE   3 ORGANISM_TAXID: 2261;                                                
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21                                       
KEYWDS    STRUCTURAL PROTEIN, ESTERASE, THEMOPHILIC                             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    N.VAREJAO,D.REVERTER                                                  
REVDAT   1   21-JUN-17 5G5C    0                                                
JRNL        AUTH   N.VAREJAO,R.V.ALMEIDA,D.REVERTER                             
JRNL        TITL   STRUCTURAL BASIS FOR THE SUBSTRATE CHANNEL FORMATION UPON    
JRNL        TITL 2 DIMERIZATION OF THE HYPERTHERMOPHILIC PF2001 ESTERASE        
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.18 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.4_1496)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.18                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 40.44                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 79503                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.179                           
REMARK   3   R VALUE            (WORKING SET) : 0.178                           
REMARK   3   FREE R VALUE                     : 0.192                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3863                            
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 40.4616 -  3.5824    1.00     2887   146  0.1619 0.1814        
REMARK   3     2  3.5824 -  2.8437    1.00     2767   149  0.1773 0.1807        
REMARK   3     3  2.8437 -  2.4843    1.00     2743   143  0.1810 0.2196        
REMARK   3     4  2.4843 -  2.2571    1.00     2765   115  0.1766 0.1776        
REMARK   3     5  2.2571 -  2.0954    1.00     2708   136  0.1745 0.1702        
REMARK   3     6  2.0954 -  1.9718    1.00     2750   124  0.1681 0.1988        
REMARK   3     7  1.9718 -  1.8731    1.00     2710   144  0.1666 0.1758        
REMARK   3     8  1.8731 -  1.7916    1.00     2710   147  0.1720 0.1958        
REMARK   3     9  1.7916 -  1.7226    1.00     2696   129  0.1738 0.1853        
REMARK   3    10  1.7226 -  1.6631    1.00     2692   142  0.1727 0.1797        
REMARK   3    11  1.6631 -  1.6111    1.00     2709   134  0.1711 0.1709        
REMARK   3    12  1.6111 -  1.5651    1.00     2670   131  0.1690 0.2119        
REMARK   3    13  1.5651 -  1.5239    1.00     2720   127  0.1719 0.1850        
REMARK   3    14  1.5239 -  1.4867    1.00     2695   129  0.1753 0.1925        
REMARK   3    15  1.4867 -  1.4529    1.00     2681   134  0.1762 0.1912        
REMARK   3    16  1.4529 -  1.4220    1.00     2698   139  0.1806 0.1871        
REMARK   3    17  1.4220 -  1.3935    1.00     2695   135  0.1870 0.1811        
REMARK   3    18  1.3935 -  1.3672    1.00     2654   141  0.1868 0.1851        
REMARK   3    19  1.3672 -  1.3428    1.00     2692   152  0.1913 0.2035        
REMARK   3    20  1.3428 -  1.3200    1.00     2641   138  0.1959 0.2368        
REMARK   3    21  1.3200 -  1.2988    1.00     2698   149  0.1980 0.2055        
REMARK   3    22  1.2988 -  1.2788    1.00     2658   127  0.2013 0.2491        
REMARK   3    23  1.2788 -  1.2600    1.00     2678   152  0.2138 0.2389        
REMARK   3    24  1.2600 -  1.2422    1.00     2680   139  0.2164 0.2333        
REMARK   3    25  1.2422 -  1.2254    1.00     2689   142  0.2356 0.2552        
REMARK   3    26  1.2254 -  1.2095    1.00     2652   132  0.2428 0.2353        
REMARK   3    27  1.2095 -  1.1944    1.00     2674   145  0.2469 0.2136        
REMARK   3    28  1.1944 -  1.1800    1.00     2628   142  0.2745 0.2867        
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)     : 0.100            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 17.560           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.006           2227                                  
REMARK   3   ANGLE     :  1.109           3019                                  
REMARK   3   CHIRALITY :  0.048            318                                  
REMARK   3   PLANARITY :  0.006            378                                  
REMARK   3   DIHEDRAL  : 12.875            832                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESSEQ 21:288)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -14.0206 -16.7855  18.1594              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0848 T22:   0.0944                                     
REMARK   3      T33:   0.0834 T12:  -0.0278                                     
REMARK   3      T13:   0.0140 T23:  -0.0145                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8013 L22:   0.7792                                     
REMARK   3      L33:   0.6288 L12:   0.1482                                     
REMARK   3      L13:   0.0334 L23:  -0.1042                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0452 S12:  -0.1166 S13:   0.0117                       
REMARK   3      S21:   0.0790 S22:  -0.0440 S23:  -0.0028                       
REMARK   3      S31:  -0.0107 S32:  -0.0374 S33:  -0.0019                       
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 5G5C COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 23-MAY-16.                  
REMARK 100 THE DEPOSITION ID IS D_1290066912.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALBA                               
REMARK 200  BEAMLINE                       : XALOC                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9792                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS                    
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 79722                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.180                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 135.920                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 6.300                              
REMARK 200  R MERGE                    (I) : 0.04000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 19.9000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.18                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.18                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.80000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : 2.000                              
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 5G59                                       
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 40.90                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   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       67.96450            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       67.96450            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       24.29800            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       36.45750            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       24.29800            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       36.45750            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       67.96450            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       24.29800            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       36.45750            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       67.96450            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       24.29800            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       36.45750            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3400 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 21140 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -22.1 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2 -1.000000  0.000000  0.000000      -48.59600            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000       67.96450            
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 A2003  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 A    14                                                      
REMARK 465     HIS A    15                                                      
REMARK 465     HIS A    16                                                      
REMARK 465     HIS A    17                                                      
REMARK 465     HIS A    18                                                      
REMARK 465     THR A   115                                                      
REMARK 465     THR A   116                                                      
REMARK 465     VAL A   117                                                      
REMARK 465     GLY A   118                                                      
REMARK 465     SER A   207                                                      
REMARK 465     GLY A   208                                                      
REMARK 465     GLY A   209                                                      
REMARK 465     ARG A   210                                                      
REMARK 465     PRO A   211                                                      
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    SER A  77     -159.38    -96.57                                   
REMARK 500    TYR A  84      -34.68   -145.32                                   
REMARK 500    SER A 149     -122.90     58.57                                   
REMARK 500    VAL A 265       16.43     46.97                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5G59   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF THE PYROCOCCUS FURIOSUS ESTERASE PF2001 WITH SPACE      
REMARK 900 GROUP P3121                                                          
REMARK 900 RELATED ID: 5G5M   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF THE PYROCOCCUS FURIOSUS ESTERASE PF2001 WITH SPACE      
REMARK 900 GROUP P21                                                            
DBREF  5G5C A   21   288  UNP    Q8TZJ1   Q8TZJ1_PYRFU    21    288             
SEQADV 5G5C MET A   14  UNP  Q8TZJ1              EXPRESSION TAG                 
SEQADV 5G5C HIS A   15  UNP  Q8TZJ1              EXPRESSION TAG                 
SEQADV 5G5C HIS A   16  UNP  Q8TZJ1              EXPRESSION TAG                 
SEQADV 5G5C HIS A   17  UNP  Q8TZJ1              EXPRESSION TAG                 
SEQADV 5G5C HIS A   18  UNP  Q8TZJ1              EXPRESSION TAG                 
SEQADV 5G5C HIS A   19  UNP  Q8TZJ1              EXPRESSION TAG                 
SEQADV 5G5C HIS A   20  UNP  Q8TZJ1              EXPRESSION TAG                 
SEQRES   1 A  275  MET HIS HIS HIS HIS HIS HIS GLY TYR LYS MET VAL ASN          
SEQRES   2 A  275  PRO PRO ARG VAL VAL GLY ASN TRP THR PRO LYS ASP LEU          
SEQRES   3 A  275  SER PHE GLU TYR LYS ASP VAL GLU ILE THR THR GLU ASP          
SEQRES   4 A  275  ASN VAL LYS LEU SER GLY TRP TRP ILE ASP ASN GLY SER          
SEQRES   5 A  275  ASP LYS THR VAL ILE PRO LEU HIS GLY TYR THR SER SER          
SEQRES   6 A  275  ARG TRP ALA GLU HIS TYR MET ARG PRO VAL ILE GLU PHE          
SEQRES   7 A  275  LEU LEU LYS GLU GLY TYR ASN VAL LEU ALA PHE ASP PHE          
SEQRES   8 A  275  ARG ALA HIS GLY LYS SER GLY GLY LYS TYR THR THR VAL          
SEQRES   9 A  275  GLY ASP LYS GLU ILE LEU ASP LEU LYS ALA GLY VAL LYS          
SEQRES  10 A  275  TRP LEU LYS ASP ASN TYR PRO GLU LYS SER LYS ARG ILE          
SEQRES  11 A  275  GLY VAL ILE GLY PHE SER MET GLY ALA LEU VAL ALA ILE          
SEQRES  12 A  275  ARG GLY LEU SER GLU VAL LYS GLU ILE CYS CYS GLY VAL          
SEQRES  13 A  275  ALA ASP SER PRO PRO ILE TYR LEU ASP LYS THR GLY ALA          
SEQRES  14 A  275  ARG GLY MET LYS TYR PHE ALA LYS LEU PRO GLU TRP LEU          
SEQRES  15 A  275  TYR SER PHE VAL LYS PRO PHE SER GLU LEU PHE SER GLY          
SEQRES  16 A  275  GLY ARG PRO ILE ASN VAL LEU ASN TYR THR ASN SER ILE          
SEQRES  17 A  275  LYS LYS PRO LEU PHE LEU ILE ILE GLY ARG ARG ASP THR          
SEQRES  18 A  275  LEU VAL LYS VAL GLU GLU VAL GLN GLU PHE TYR GLU ARG          
SEQRES  19 A  275  ASN LYS HIS VAL ASN PRO ASN VAL GLU LEU TRP VAL THR          
SEQRES  20 A  275  ASP ALA PRO HIS VAL ARG THR ILE GLN VAL PHE PRO GLU          
SEQRES  21 A  275  GLU TRP LYS SER ARG VAL GLY GLU PHE LEU LYS ARG TRP          
SEQRES  22 A  275  MET GLY                                                      
FORMUL   2  HOH   *157(H2 O)                                                    
HELIX    1   1 THR A   35  SER A   40  5                                   6    
HELIX    2   2 TYR A   84  GLU A   95  1                                  12    
HELIX    3   3 LYS A  120  TYR A  136  1                                  17    
HELIX    4   4 PRO A  137  SER A  140  5                                   4    
HELIX    5   5 SER A  149  VAL A  162  1                                  14    
HELIX    6   6 TYR A  176  LYS A  186  1                                  11    
HELIX    7   7 TYR A  187  LEU A  191  5                                   5    
HELIX    8   8 PRO A  192  PHE A  206  1                                  15    
HELIX    9   9 ASN A  216  ILE A  221  1                                   6    
HELIX   10  10 LYS A  237  LYS A  249  1                                  13    
HELIX   11  11 ARG A  266  PHE A  271  1                                   6    
HELIX   12  12 PHE A  271  GLY A  288  1                                  18    
SHEET    1  AA 8 LYS A  44  THR A  49  0                                        
SHEET    2  AA 8 LYS A  55  ILE A  61 -1  O  LEU A  56   N  ILE A  48           
SHEET    3  AA 8 ASN A  98  PHE A 102 -1  O  VAL A  99   N  ILE A  61           
SHEET    4  AA 8 LYS A  67  LEU A  72  1  O  LYS A  67   N  ASN A  98           
SHEET    5  AA 8 ARG A 142  PHE A 148  1  O  ARG A 142   N  THR A  68           
SHEET    6  AA 8 ILE A 165  ASP A 171  1  N  CYS A 166   O  ILE A 143           
SHEET    7  AA 8 LEU A 225  GLY A 230  1  O  PHE A 226   N  ALA A 170           
SHEET    8  AA 8 VAL A 255  THR A 260  1  O  GLU A 256   N  LEU A 227           
CRYST1   48.596   72.915  135.929  90.00  90.00  90.00 C 2 2 21      8          
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      0.020578  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.013715  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007357        0.00000                         
TER    2162      GLY A 288                                                      
MASTER      310    0    0   12    8    0    0    6 2296    1    0   22          
END                                                                             

Send your questions or comments to :
Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
For technical information about these pages see:
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