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LongText Report for: 8ea2-pdb

Name Class
8ea2-pdb
HEADER    PLANT PROTEIN                           27-AUG-22   8EA2              
TITLE     STRUCTURE OF 2-HYDROXYISOFLAVANONE DEHYDRATASE FROM PUERARIA LOBATE   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 2-HYDROXYISOFLAVANONE DEHYDRATASE;                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PUERARIA MONTANA VAR. LOBATA;                   
SOURCE   3 ORGANISM_COMMON: KUDZU VINE;                                         
SOURCE   4 ORGANISM_TAXID: 3893;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PDEST17                                   
KEYWDS    DEHYDRATASE, DEHYDRATION, CARBOXYLESTERASE, PLANT PROTEIN             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    H.PAN,X.WANG                                                          
REVDAT   1   30-NOV-22 8EA2    0                                                
JRNL        AUTH   X.WANG,H.PAN,S.SAGURTHI,V.PARIS,C.ZHUO,R.A.DIXON             
JRNL        TITL   THE PROTEIN CONFORMATIONAL BASIS OF ISOFLAVONE BIOSYNTHESIS. 
JRNL        REF    COMMUN BIOL                   V.   5  1249 2022              
JRNL        REFN                   ESSN 2399-3642                               
JRNL        PMID   36376429                                                     
JRNL        DOI    10.1038/S42003-022-04222-X                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.39 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.12_2829                                     
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 : GEOSTD + MONOMER LIBRARY + CDL V1.2           
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.39                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 24.24                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.330                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 16606                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.189                           
REMARK   3   R VALUE            (WORKING SET) : 0.186                           
REMARK   3   FREE R VALUE                     : 0.243                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.058                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 840                             
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 24.2360 -  4.3440    0.94     2659   125  0.1606 0.1799        
REMARK   3     2  4.3440 -  3.4512    0.94     2569   120  0.1727 0.2613        
REMARK   3     3  3.4512 -  3.0159    0.99     2647   145  0.2138 0.2624        
REMARK   3     4  3.0159 -  2.7405    1.00     2640   167  0.2289 0.2892        
REMARK   3     5  2.7405 -  2.5443    1.00     2642   144  0.2282 0.3303        
REMARK   3     6  2.5443 -  2.3940    0.98     2609   139  0.2470 0.3248        
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)     : 0.301            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.778           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 55.79                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 59.76                          
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      :  0.009           2525                                  
REMARK   3   ANGLE     :  1.274           3446                                  
REMARK   3   CHIRALITY :  0.078            380                                  
REMARK   3   PLANARITY :  0.005            450                                  
REMARK   3   DIHEDRAL  : 16.608            899                                  
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): -33.9760 -14.7117  -0.4213              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4399 T22:   0.3893                                     
REMARK   3      T33:   0.3926 T12:   0.0237                                     
REMARK   3      T13:  -0.0592 T23:  -0.0086                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3814 L22:   2.5058                                     
REMARK   3      L33:   1.5299 L12:   0.1060                                     
REMARK   3      L13:   0.0524 L23:   0.2059                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0631 S12:  -0.0777 S13:   0.0615                       
REMARK   3      S21:   0.4869 S22:  -0.0307 S23:  -0.2429                       
REMARK   3      S31:   0.0490 S32:   0.2460 S33:  -0.0406                       
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 8EA2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-AUG-22.                  
REMARK 100 THE DEPOSITION ID IS D_1000268087.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 08-OCT-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 93                                 
REMARK 200  PH                             : 7.5                                
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                             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU                             
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 16673                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.394                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.0                               
REMARK 200  DATA REDUNDANCY                : 6.000                              
REMARK 200  R MERGE                    (I) : 0.08300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 14.8000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.39                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.49                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 6.10                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.59300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : 2.400                              
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: 2O7R                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 59.71                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.73                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 18% PEG3350, 0.1 M HEPES PH7.5, VAPOR    
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+2/3                                           
REMARK 290       6555   -X,-X+Y,-Z+1/3                                          
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       23.41300            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       46.82600            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  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        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       46.82600            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       23.41300            
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (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   -27                                                      
REMARK 465     SER A   -26                                                      
REMARK 465     TYR A   -25                                                      
REMARK 465     TYR A   -24                                                      
REMARK 465     HIS A   -23                                                      
REMARK 465     HIS A   -22                                                      
REMARK 465     HIS A   -21                                                      
REMARK 465     HIS A   -20                                                      
REMARK 465     HIS A   -19                                                      
REMARK 465     HIS A   -18                                                      
REMARK 465     LEU A   -17                                                      
REMARK 465     GLU A   -16                                                      
REMARK 465     SER A   -15                                                      
REMARK 465     THR A   -14                                                      
REMARK 465     SER A   -13                                                      
REMARK 465     LEU A   -12                                                      
REMARK 465     TYR A   -11                                                      
REMARK 465     LYS A   -10                                                      
REMARK 465     LYS A    -9                                                      
REMARK 465     ALA A    -8                                                      
REMARK 465     GLY A    -7                                                      
REMARK 465     SER A    -6                                                      
REMARK 465     ALA A    -5                                                      
REMARK 465     ALA A    -4                                                      
REMARK 465     ALA A    -3                                                      
REMARK 465     PRO A    -2                                                      
REMARK 465     PHE A    -1                                                      
REMARK 465     THR A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     ASN A     3                                                      
REMARK 465     GLU A     4                                                      
REMARK 465     ASN A     5                                                      
REMARK 465     SER A     6                                                      
REMARK 465     ASN A     7                                                      
REMARK 465     LYS A     8                                                      
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     GLU A   9    CB   CG   CD   OE1  OE2                             
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    HIS A 301   CB  -  CA  -  C   ANGL. DEV. = -16.6 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    GLU A  40      105.78   -168.84                                   
REMARK 500    GLU A  89     -178.39     75.49                                   
REMARK 500    ASN A 108       60.29     64.53                                   
REMARK 500    THR A 168     -118.63     46.14                                   
REMARK 500    CYS A 231       70.04   -151.59                                   
REMARK 500    HIS A 301      118.40     -9.70                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 GLU A  300     HIS A  301                  147.23                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  8EA2 A    1   325  UNP    E9M5G1   E9M5G1_PUEML     1    325             
SEQADV 8EA2 MET A  -27  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 SER A  -26  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 TYR A  -25  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 TYR A  -24  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 HIS A  -23  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 HIS A  -22  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 HIS A  -21  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 HIS A  -20  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 HIS A  -19  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 HIS A  -18  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 LEU A  -17  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 GLU A  -16  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 SER A  -15  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 THR A  -14  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 SER A  -13  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 LEU A  -12  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 TYR A  -11  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 LYS A  -10  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 LYS A   -9  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 ALA A   -8  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 GLY A   -7  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 SER A   -6  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 ALA A   -5  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 ALA A   -4  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 ALA A   -3  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 PRO A   -2  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 PHE A   -1  UNP  E9M5G1              EXPRESSION TAG                 
SEQADV 8EA2 THR A    0  UNP  E9M5G1              EXPRESSION TAG                 
SEQRES   1 A  353  MET SER TYR TYR HIS HIS HIS HIS HIS HIS LEU GLU SER          
SEQRES   2 A  353  THR SER LEU TYR LYS LYS ALA GLY SER ALA ALA ALA PRO          
SEQRES   3 A  353  PHE THR MET ALA ASN GLU ASN SER ASN LYS GLU ILE VAL          
SEQRES   4 A  353  LYS GLU VAL LEU PRO LEU ILE ARG VAL TYR LYS ASP GLY          
SEQRES   5 A  353  THR VAL GLU ARG LEU LEU SER SER PRO ASN VAL ALA ALA          
SEQRES   6 A  353  SER PRO GLU ASP PRO GLU THR GLY VAL SER SER LYS ASP          
SEQRES   7 A  353  ILE VAL ILE ALA HIS ASN PRO TYR VAL SER ALA ARG ILE          
SEQRES   8 A  353  PHE LEU PRO ASN ILE ASN LYS SER HIS ASN LYS LEU PRO          
SEQRES   9 A  353  ILE PHE VAL TYR PHE HIS GLY GLY ALA PHE CYS VAL GLU          
SEQRES  10 A  353  SER ALA PHE SER PHE PHE VAL HIS ARG TYR LEU ASN ILE          
SEQRES  11 A  353  LEU ALA SER GLN ALA ASN ILE ILE ALA VAL SER VAL ASP          
SEQRES  12 A  353  PHE ARG LEU LEU PRO HIS HIS PRO LEU PRO ALA ALA TYR          
SEQRES  13 A  353  GLU ASP GLY TRP THR THR LEU GLN TRP ILE ALA SER HIS          
SEQRES  14 A  353  ALA ASN ASN THR ALA THR ASN PRO GLU PRO TRP LEU LEU          
SEQRES  15 A  353  ASN HIS ALA ASP PHE ASN LYS LEU TYR VAL GLY GLY GLU          
SEQRES  16 A  353  THR SER GLY ALA ASN LEU ALA HIS ASN LEU LEU LEU ARG          
SEQRES  17 A  353  ALA GLY ASN GLY ASN GLN SER LEU PRO GLY ASP LEU LYS          
SEQRES  18 A  353  ILE LEU GLY GLY LEU LEU CYS CYS PRO PHE PHE TRP GLY          
SEQRES  19 A  353  SER LYS PRO ILE GLY SER GLU PRO VAL ASP GLU HIS GLU          
SEQRES  20 A  353  GLN SER LEU ALA MET LYS VAL TRP ASN LEU ALA CYS PRO          
SEQRES  21 A  353  ASP ALA PRO GLY GLY ILE ASP ASN PRO TRP ILE ASN PRO          
SEQRES  22 A  353  CYS VAL ALA GLY ALA PRO SER LEU ALA THR LEU GLY CYS          
SEQRES  23 A  353  SER LYS LEU LEU VAL THR ILE THR GLY ARG ASP GLU PHE          
SEQRES  24 A  353  ARG ASP ARG ASP ILE LEU TYR HIS ASP THR VAL LYS LYS          
SEQRES  25 A  353  SER GLY TRP GLU GLY GLN LEU GLU LEU PHE ASP ALA GLY          
SEQRES  26 A  353  ASP GLU GLU HIS ALA PHE GLN LEU PHE LYS PRO GLU THR          
SEQRES  27 A  353  ASP THR ALA LYS ALA MET ILE LYS ARG LEU ALA SER PHE          
SEQRES  28 A  353  LEU VAL                                                      
FORMUL   2  HOH   *78(H2 O)                                                     
HELIX    1 AA1 SER A   93  ASN A  108  1                                  16    
HELIX    2 AA2 PRO A  125  ASN A  143  1                                  19    
HELIX    3 AA3 GLU A  150  HIS A  156  1                                   7    
HELIX    4 AA4 THR A  168  GLY A  182  1                                  15    
HELIX    5 AA5 LEU A  188  LEU A  192  5                                   5    
HELIX    6 AA6 ASP A  216  GLN A  220  5                                   5    
HELIX    7 AA7 SER A  221  CYS A  231  1                                  11    
HELIX    8 AA8 GLY A  236  ASN A  240  5                                   5    
HELIX    9 AA9 SER A  252  LEU A  256  5                                   5    
HELIX   10 AB1 PHE A  271  LYS A  284  1                                  14    
HELIX   11 AB2 ALA A  302  LYS A  307  1                                   6    
HELIX   12 AB3 THR A  310  SER A  322  1                                  13    
SHEET    1 AA1 3 ILE A  10  VAL A  14  0                                        
SHEET    2 AA1 3 ILE A  18  TYR A  21 -1  O  VAL A  20   N  LYS A  12           
SHEET    3 AA1 3 VAL A  26  ARG A  28 -1  O  GLU A  27   N  ARG A  19           
SHEET    1 AA2 8 SER A  47  ALA A  54  0                                        
SHEET    2 AA2 8 VAL A  59  LEU A  65 -1  O  LEU A  65   N  SER A  47           
SHEET    3 AA2 8 ILE A 110  ASP A 115 -1  O  SER A 113   N  ARG A  62           
SHEET    4 AA2 8 LEU A  75  PHE A  81  1  N  TYR A  80   O  VAL A 112           
SHEET    5 AA2 8 ALA A 157  GLU A 167  1  O  ASP A 158   N  LEU A  75           
SHEET    6 AA2 8 GLY A 196  CYS A 200  1  O  CYS A 200   N  GLY A 166           
SHEET    7 AA2 8 LYS A 260  ILE A 265  1  O  THR A 264   N  LEU A 199           
SHEET    8 AA2 8 GLN A 290  ASP A 295  1  O  GLU A 292   N  LEU A 261           
CISPEP   1 LEU A   15    PRO A   16          0        -2.02                     
CISPEP   2 ASN A   56    PRO A   57          0        -3.91                     
CISPEP   3 LEU A  119    PRO A  120          0         6.98                     
CISPEP   4 LEU A  124    PRO A  125          0         8.08                     
CRYST1  102.309  102.309   70.239  90.00  90.00 120.00 P 31 2 1      6          
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      0.009774  0.005643  0.000000        0.00000                         
SCALE2      0.000000  0.011286  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014237        0.00000                         
TER    2456      VAL A 325                                                      
MASTER      319    0    0   12   11    0    0    6 2533    1    0   28          
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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