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LongText Report for: 3QPC-pdb

Name Class
3QPC-pdb
HEADER    HYDROLASE                               11-FEB-11   3QPC              
TITLE     STRUCTURE OF FUSARIUM SOLANI CUTINASE EXPRESSED IN PICHIA PASTORIS,   
TITLE    2 CRYSTALLIZED IN THE PRESENCE OF PARAOXON                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CUTINASE;                                                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 32-228;                                       
COMPND   5 SYNONYM: CUTIN HYDROLASE 1;                                          
COMPND   6 EC: 3.1.1.74;                                                        
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: FUSARIUM SOLANI;                                
SOURCE   3 ORGANISM_TAXID: 169388;                                              
SOURCE   4 GENE: CUT1, CUTA;                                                    
SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 4922                                        
KEYWDS    ALPHA-BETA HYDROLASE FOLD, ESTERASE, HYDROLASE, CUTIN, MONO-ETHYL     
KEYWDS   2 PHOSPHORYLATED SERINE RESIDUE, SECRETED                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Y.GOSSER,A.LU,X.KONG,J.K.MONTCLARE,Z.LIU                              
REVDAT   1   29-FEB-12 3QPC    0                                                
JRNL        AUTH   Y.GOSSER,A.LU,X.KONG,J.K.MONTCLARE,Z.LIU                     
JRNL        TITL   STRUCTURE OF FUSARIUM SOLANI CUTINASE EXPRESSED IN PICHIA    
JRNL        TITL 2 PASTORIS                                                     
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    0.98 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.1_357)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT 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) : 0.98                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.97                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.070                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 90.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 80123                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.150                           
REMARK   3   R VALUE            (WORKING SET) : 0.149                           
REMARK   3   FREE R VALUE                     : 0.163                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.970                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 4396                            
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 19.9759 -  3.0347    1.00     3353   146  0.1729 0.1898        
REMARK   3     2  3.0347 -  2.4101    1.00     3181   168  0.1423 0.1531        
REMARK   3     3  2.4101 -  2.1058    1.00     3154   170  0.1288 0.1295        
REMARK   3     4  2.1058 -  1.9134    1.00     3104   164  0.1237 0.1457        
REMARK   3     5  1.9134 -  1.7764    0.99     3105   158  0.1245 0.1262        
REMARK   3     6  1.7764 -  1.6717    0.99     3059   170  0.1181 0.1348        
REMARK   3     7  1.6717 -  1.5880    0.99     3073   164  0.1150 0.1560        
REMARK   3     8  1.5880 -  1.5189    0.98     3045   154  0.1095 0.1271        
REMARK   3     9  1.5189 -  1.4605    0.98     3005   169  0.1102 0.1437        
REMARK   3    10  1.4605 -  1.4101    0.98     2990   168  0.1139 0.1358        
REMARK   3    11  1.4101 -  1.3660    0.97     2988   163  0.1113 0.1438        
REMARK   3    12  1.3660 -  1.3270    0.96     2948   146  0.1137 0.1521        
REMARK   3    13  1.3270 -  1.2920    0.96     2959   159  0.1144 0.1448        
REMARK   3    14  1.2920 -  1.2605    0.96     2923   154  0.1165 0.1381        
REMARK   3    15  1.2605 -  1.2319    0.95     2958   131  0.1227 0.1307        
REMARK   3    16  1.2319 -  1.2057    0.95     2911   147  0.1196 0.1413        
REMARK   3    17  1.2057 -  1.1815    0.94     2885   146  0.1221 0.1569        
REMARK   3    18  1.1815 -  1.1592    0.93     2870   144  0.1270 0.1494        
REMARK   3    19  1.1592 -  1.1385    0.92     2773   162  0.1306 0.1443        
REMARK   3    20  1.1385 -  1.1192    0.92     2818   163  0.1336 0.1712        
REMARK   3    21  1.1192 -  1.1012    0.90     2749   155  0.1435 0.1597        
REMARK   3    22  1.1012 -  1.0843    0.89     2671   160  0.1543 0.1942        
REMARK   3    23  1.0843 -  1.0683    0.87     2687   149  0.1741 0.1712        
REMARK   3    24  1.0683 -  1.0533    0.85     2569   134  0.1900 0.1997        
REMARK   3    25  1.0533 -  1.0390    0.83     2543   131  0.2061 0.2373        
REMARK   3    26  1.0390 -  1.0255    0.81     2460   134  0.2243 0.2471        
REMARK   3    27  1.0255 -  1.0127    0.77     2360   108  0.2551 0.2848        
REMARK   3    28  1.0127 -  1.0005    0.73     2235   110  0.3064 0.2871        
REMARK   3    29  1.0005 -  0.9889    0.65     1979    89  0.3324 0.3356        
REMARK   3    30  0.9889 -  0.9778    0.53     1626    80  0.3741 0.3511        
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              : 0.39                                          
REMARK   3   B_SOL              : 42.13                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.100            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 14.420           
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) : 0.00000                                              
REMARK   3    B22 (A**2) : 0.00000                                              
REMARK   3    B33 (A**2) : 0.00000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  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      :  0.014           1587                                  
REMARK   3   ANGLE     :  1.521           2170                                  
REMARK   3   CHIRALITY :  0.086            244                                  
REMARK   3   PLANARITY :  0.009            294                                  
REMARK   3   DIHEDRAL  : 11.954            586                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3QPC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-FEB-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB063933.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 05-FEB-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.9                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X6A                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.77009                            
REMARK 200  MONOCHROMATOR                  : SI(111)                            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 270                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 80123                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 0.978                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 19.970                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 90.7                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   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: MOLREP                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 39.43                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.03                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% (W/V) PEG3350, 0.2M MAGNESIUM        
REMARK 280  FORMATE, PH 5.9, VAPOR DIFFUSION, HANGING 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       18.40000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       35.27300            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       32.19250            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       35.27300            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       18.40000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       32.19250            
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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    CYS A 109   CB    CYS A 109   SG     -0.159                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    ASP A 165   CB  -  CG  -  OD1 ANGL. DEV. =   6.3 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    SER A  30       52.13   -148.80                                   
REMARK 500    THR A  43       -0.30     75.52                                   
REMARK 500    MIR A 120     -122.16     61.83                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1CEX   RELATED DB: PDB                                   
REMARK 900 ORIGINAL STRUCTURE OF F. SOLANI CUTINASE ENZYME EXPRESSED            
REMARK 900 IN E. COLI                                                           
REMARK 900 RELATED ID: 3QPA   RELATED DB: PDB                                   
REMARK 900 HIGH RESOLUTION OF FSC STRUCTURE IN THE ABSENCE OF PARAOXON          
REMARK 900 RELATED ID: 3QPD   RELATED DB: PDB                                   
DBREF  3QPC A   16   212  UNP    C7ZGJ1   C7ZGJ1_NECH7    32    228             
SEQRES   1 A  197  GLY ARG THR THR ARG ASP ASP LEU ILE ASN GLY ASN SER          
SEQRES   2 A  197  ALA SER CYS ALA ASP VAL ILE PHE ILE TYR ALA ARG GLY          
SEQRES   3 A  197  SER THR GLU THR GLY ASN LEU GLY THR LEU GLY PRO SER          
SEQRES   4 A  197  ILE ALA SER ASN LEU GLU SER ALA PHE GLY LYS ASP GLY          
SEQRES   5 A  197  VAL TRP ILE GLN GLY VAL GLY GLY ALA TYR ARG ALA THR          
SEQRES   6 A  197  LEU GLY ASP ASN ALA LEU PRO ARG GLY THR SER SER ALA          
SEQRES   7 A  197  ALA ILE ARG GLU MET LEU GLY LEU PHE GLN GLN ALA ASN          
SEQRES   8 A  197  THR LYS CYS PRO ASP ALA THR LEU ILE ALA GLY GLY TYR          
SEQRES   9 A  197  MIR GLN GLY ALA ALA LEU ALA ALA ALA SER ILE GLU ASP          
SEQRES  10 A  197  LEU ASP SER ALA ILE ARG ASP LYS ILE ALA GLY THR VAL          
SEQRES  11 A  197  LEU PHE GLY TYR THR LYS ASN LEU GLN ASN ARG GLY ARG          
SEQRES  12 A  197  ILE PRO ASN TYR PRO ALA ASP ARG THR LYS VAL PHE CYS          
SEQRES  13 A  197  ASN THR GLY ASP LEU VAL CYS THR GLY SER LEU ILE VAL          
SEQRES  14 A  197  ALA ALA PRO HIS LEU ALA TYR GLY PRO ASP ALA ARG GLY          
SEQRES  15 A  197  PRO ALA PRO GLU PHE LEU ILE GLU LYS VAL ARG ALA VAL          
SEQRES  16 A  197  ARG GLY                                                      
MODRES 3QPC MIR A  120  SER  MONOETHYLPHOSPHORYLSERINE                          
HET    MIR  A 120      21                                                       
HETNAM     MIR MONOETHYLPHOSPHORYLSERINE                                        
HETSYN     MIR O-[(S)-ETHOXY(HYDROXY)PHOSPHORYL]-L-SERINE                       
FORMUL   1  MIR    C5 H12 N O6 P                                                
FORMUL   2  HOH   *297(H2 O)                                                    
HELIX    1   1 LEU A   51  GLY A   64  1                                  14    
HELIX    2   2 THR A   80  LEU A   86  5                                   7    
HELIX    3   3 SER A   91  CYS A  109  1                                  19    
HELIX    4   4 MIR A  120  LEU A  133  1                                  14    
HELIX    5   5 ASP A  134  ASP A  139  1                                   6    
HELIX    6   6 PRO A  163  ASP A  165  5                                   3    
HELIX    7   7 ASP A  175  GLY A  180  5                                   6    
HELIX    8   8 ALA A  185  ALA A  190  5                                   6    
HELIX    9   9 TYR A  191  GLY A  197  1                                   7    
HELIX   10  10 GLY A  197  GLY A  212  1                                  16    
SHEET    1   A 5 VAL A  68  GLY A  72  0                                        
SHEET    2   A 5 VAL A  34  ALA A  39  1  N  PHE A  36   O  TRP A  69           
SHEET    3   A 5 THR A 113  TYR A 119  1  O  ILE A 115   N  ILE A  37           
SHEET    4   A 5 ILE A 141  PHE A 147  1  O  ALA A 142   N  LEU A 114           
SHEET    5   A 5 THR A 167  PHE A 170  1  O  PHE A 170   N  LEU A 146           
SSBOND   1 CYS A   31    CYS A  109                          1555   1555  2.04  
SSBOND   2 CYS A  171    CYS A  178                          1555   1555  2.26  
CRYST1   36.800   64.385   70.546  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      0.027174  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.015532  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014175        0.00000                         
TER    3074      GLY A 212                                                      
MASTER      285    0    1   10    5    0    0    6 1741    1   27   16          
END                                                                             

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