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LongText Report for: 4HRY-pdb

Name Class
4HRY-pdb
HEADER    HYDROLASE                               29-OCT-12   4HRY              
TITLE     THE STRUCTURE OF ARABIDOPSIS THALIANA KAI2                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HYDROLASE, ALPHA/BETA FOLD FAMILY PROTEIN;                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: KARRIKIN-INSENSITIVE 2, PUTATIVE UNCHARACTERIZED PROTEIN    
COMPND   5 AT4G37470, PUTATIVE UNCHARACTERIZED PROTEIN AT4G37470, PUTATIVE      
COMPND   6 UNCHARACTERIZED PROTEIN F6G17.120;                                   
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS, THALE-CRESS;                       
SOURCE   4 ORGANISM_TAXID: 3702;                                                
SOURCE   5 GENE: AT4G37470, F6G17.120;                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSETTA;                                   
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PDEST17                                   
KEYWDS    ALPHA/BETA HYDROLASE, SIGNALING PROTEIN, HYDROLASE                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.BYTHELL-DOUGLAS,M.T.WATERS,A.SCAFFIDI,G.R.FLEMATTI,S.M.SMITH,       
AUTHOR   2 C.S.BOND                                                             
REVDAT   1   27-FEB-13 4HRY    0                                                
JRNL        AUTH   R.BYTHELL-DOUGLAS,M.T.WATERS,A.SCAFFIDI,G.R.FLEMATTI,        
JRNL        AUTH 2 S.M.SMITH,C.S.BOND                                           
JRNL        TITL   THE STRUCTURE OF THE KARRIKIN-INSENSITIVE PROTEIN (KAI2) IN  
JRNL        TITL 2 ARABIDOPSIS THALIANA                                         
JRNL        REF    PLOS ONE                      V.   8 54758 2013              
JRNL        REFN                   ESSN 1932-6203                               
JRNL        PMID   23349965                                                     
JRNL        DOI    10.1371/JOURNAL.PONE.0054758                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : BUSTER 2.10.0                                        
REMARK   3   AUTHORS     : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER,              
REMARK   3               : PACIOREK,ROVERSI,SHARFF,SMART,VONRHEIN,              
REMARK   3               : WOMACK,MATTHEWS,TEN EYCK,TRONRUD                     
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 21.96                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 95.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 51205                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD           : THROUGHOUT                     
REMARK   3   FREE R VALUE TEST SET SELECTION   : RANDOM                         
REMARK   3   R VALUE     (WORKING + TEST SET)  : 0.177                          
REMARK   3   R VALUE            (WORKING SET)  : 0.176                          
REMARK   3   FREE R VALUE                      : 0.197                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%)  : 5.060                          
REMARK   3   FREE R VALUE TEST SET COUNT       : 2589                           
REMARK   3   ESTIMATED ERROR OF FREE R VALUE   : NULL                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED               : 20                       
REMARK   3   BIN RESOLUTION RANGE HIGH   (ANGSTROMS) : 1.50                     
REMARK   3   BIN RESOLUTION RANGE LOW    (ANGSTROMS) : 1.54                     
REMARK   3   BIN COMPLETENESS (WORKING+TEST)     (%) : 95.57                    
REMARK   3   REFLECTIONS IN BIN (WORKING + TEST SET) : 2241                     
REMARK   3   BIN R VALUE        (WORKING + TEST SET) : 0.2347                   
REMARK   3   REFLECTIONS IN BIN        (WORKING SET) : 2146                     
REMARK   3   BIN R VALUE               (WORKING SET) : 0.2351                   
REMARK   3   BIN FREE R VALUE                        : 0.2257                   
REMARK   3   BIN FREE R VALUE TEST SET SIZE      (%) : 4.24                     
REMARK   3   BIN FREE R VALUE TEST SET COUNT         : 95                       
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE     : NULL                     
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2079                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 24                                      
REMARK   3   SOLVENT ATOMS            : 432                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 17.68                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 21.04                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.68530                                              
REMARK   3    B22 (A**2) : 0.47980                                              
REMARK   3    B33 (A**2) : -1.16510                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT                    (A) : 0.17                
REMARK   3   DPI (BLOW EQ-10) BASED ON R VALUE        (A) : 0.07                
REMARK   3   DPI (BLOW EQ-9) BASED ON FREE R VALUE    (A) : 0.07                
REMARK   3   DPI (CRUICKSHANK) BASED ON R VALUE       (A) : 0.07                
REMARK   3   DPI (CRUICKSHANK) BASED ON FREE R VALUE  (A) : 0.07                
REMARK   3                                                                      
REMARK   3   REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797                
REMARK   3               CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601     
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.954                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.947                         
REMARK   3                                                                      
REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15                    
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.          
REMARK   3    BOND LENGTHS              : 2180   ; 2.000  ; HARMONIC            
REMARK   3    BOND ANGLES               : 2969   ; 2.000  ; HARMONIC            
REMARK   3    TORSION ANGLES            : 747    ; 2.000  ; SINUSOIDAL          
REMARK   3    TRIGONAL CARBON PLANES    : 56     ; 2.000  ; HARMONIC            
REMARK   3    GENERAL PLANES            : 318    ; 5.000  ; HARMONIC            
REMARK   3    ISOTROPIC THERMAL FACTORS : 2180   ; 20.000 ; HARMONIC            
REMARK   3    BAD NON-BONDED CONTACTS   : 0      ; 5.000  ; SEMIHARMONIC        
REMARK   3    IMPROPER TORSIONS         : NULL   ; NULL   ; NULL                
REMARK   3    PSEUDOROTATION ANGLES     : NULL   ; NULL   ; NULL                
REMARK   3    CHIRAL IMPROPER TORSION   : 276    ; 5.000  ; SEMIHARMONIC        
REMARK   3    SUM OF OCCUPANCIES        : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY DISTANCES         : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY ANGLES            : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY TORSION           : NULL   ; NULL   ; NULL                
REMARK   3    IDEAL-DIST CONTACT TERM   : 3043   ; 4.000  ; SEMIHARMONIC        
REMARK   3                                                                      
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.                                  
REMARK   3    BOND LENGTHS                       (A) : 0.010                    
REMARK   3    BOND ANGLES                  (DEGREES) : 1.01                     
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 3.45                     
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : 15.28                    
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4HRY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-NOV-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB075845.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-JUN-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.3                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : AUSTRALIAN SYNCHROTRON             
REMARK 200  BEAMLINE                       : MX1                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.95390                            
REMARK 200  MONOCHROMATOR                  : SI(111)                            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 210R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 51205                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 27.505                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
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   (%): 52.26                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.58                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.4M SODIUM POTASSIUM PHOSPHATE, PH      
REMARK 280  7.3, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K                
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       31.78000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       39.12000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       33.13000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       39.12000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       31.78000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       33.13000            
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 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     HIS A   -17                                                      
REMARK 465     HIS A   -16                                                      
REMARK 465     HIS A   -15                                                      
REMARK 465     HIS A   -14                                                      
REMARK 465     HIS A   -13                                                      
REMARK 465     HIS A   -12                                                      
REMARK 465     LEU A   -11                                                      
REMARK 465     GLU A   -10                                                      
REMARK 465     SER A    -9                                                      
REMARK 465     THR A    -8                                                      
REMARK 465     SER A    -7                                                      
REMARK 465     LEU A    -6                                                      
REMARK 465     TYR A    -5                                                      
REMARK 465     LYS A    -4                                                      
REMARK 465     LYS A    -3                                                      
REMARK 465     ALA A    -2                                                      
REMARK 465     GLY A    -1                                                      
REMARK 465     PHE A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     MET A   270                                                      
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    THR A  28     -164.39   -120.00                                   
REMARK 500    SER A  95     -121.65     56.39                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 658        DISTANCE =  6.47 ANGSTROMS                       
REMARK 525    HOH A 761        DISTANCE =  6.02 ANGSTROMS                       
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              NA A 302  NA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH A 573   O                                                      
REMARK 620 2 CYS A 234   O   120.1                                              
REMARK 620 3 SER A 236   OG  137.0 102.1                                        
REMARK 620 4 HIS A 229   O    62.7 168.9  77.5                                  
REMARK 620 5 LEU A 232   O    68.2  77.7 134.0  94.5                            
REMARK 620 N                    1     2     3     4                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 301                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 302                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 303                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 304                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TAM A 305                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4HRX   RELATED DB: PDB                                   
REMARK 900 THE SAME PROTEIN IN THE SPACE GROUP P21 AT LOWER RESOLUTION          
REMARK 900 RELATED ID: 4HTA   RELATED DB: PDB                                   
DBREF  4HRY A    1   270  UNP    Q9SZU7   Q9SZU7_ARATH     1    270             
SEQADV 4HRY HIS A  -17  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY HIS A  -16  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY HIS A  -15  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY HIS A  -14  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY HIS A  -13  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY HIS A  -12  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY LEU A  -11  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY GLU A  -10  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY SER A   -9  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY THR A   -8  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY SER A   -7  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY LEU A   -6  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY TYR A   -5  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY LYS A   -4  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY LYS A   -3  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY ALA A   -2  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY GLY A   -1  UNP  Q9SZU7              EXPRESSION TAG                 
SEQADV 4HRY PHE A    0  UNP  Q9SZU7              EXPRESSION TAG                 
SEQRES   1 A  288  HIS HIS HIS HIS HIS HIS LEU GLU SER THR SER LEU TYR          
SEQRES   2 A  288  LYS LYS ALA GLY PHE MET GLY VAL VAL GLU GLU ALA HIS          
SEQRES   3 A  288  ASN VAL LYS VAL ILE GLY SER GLY GLU ALA THR ILE VAL          
SEQRES   4 A  288  LEU GLY HIS GLY PHE GLY THR ASP GLN SER VAL TRP LYS          
SEQRES   5 A  288  HIS LEU VAL PRO HIS LEU VAL ASP ASP TYR ARG VAL VAL          
SEQRES   6 A  288  LEU TYR ASP ASN MET GLY ALA GLY THR THR ASN PRO ASP          
SEQRES   7 A  288  TYR PHE ASP PHE ASP ARG TYR SER ASN LEU GLU GLY TYR          
SEQRES   8 A  288  SER PHE ASP LEU ILE ALA ILE LEU GLU ASP LEU LYS ILE          
SEQRES   9 A  288  GLU SER CYS ILE PHE VAL GLY HIS SER VAL SER ALA MET          
SEQRES  10 A  288  ILE GLY VAL LEU ALA SER LEU ASN ARG PRO ASP LEU PHE          
SEQRES  11 A  288  SER LYS ILE VAL MET ILE SER ALA SER PRO ARG TYR VAL          
SEQRES  12 A  288  ASN ASP VAL ASP TYR GLN GLY GLY PHE GLU GLN GLU ASP          
SEQRES  13 A  288  LEU ASN GLN LEU PHE GLU ALA ILE ARG SER ASN TYR LYS          
SEQRES  14 A  288  ALA TRP CYS LEU GLY PHE ALA PRO LEU ALA VAL GLY GLY          
SEQRES  15 A  288  ASP MET ASP SER ILE ALA VAL GLN GLU PHE SER ARG THR          
SEQRES  16 A  288  LEU PHE ASN MET ARG PRO ASP ILE ALA LEU SER VAL GLY          
SEQRES  17 A  288  GLN THR ILE PHE GLN SER ASP MET ARG GLN ILE LEU PRO          
SEQRES  18 A  288  PHE VAL THR VAL PRO CYS HIS ILE LEU GLN SER VAL LYS          
SEQRES  19 A  288  ASP LEU ALA VAL PRO VAL VAL VAL SER GLU TYR LEU HIS          
SEQRES  20 A  288  ALA ASN LEU GLY CYS GLU SER VAL VAL GLU VAL ILE PRO          
SEQRES  21 A  288  SER ASP GLY HIS LEU PRO GLN LEU SER SER PRO ASP SER          
SEQRES  22 A  288  VAL ILE PRO VAL ILE LEU ARG HIS ILE ARG ASN ASP ILE          
SEQRES  23 A  288  ALA MET                                                      
HET     CL  A 301       1                                                       
HET     NA  A 302       1                                                       
HET    PO4  A 303       5                                                       
HET    GOL  A 304       6                                                       
HET    TAM  A 305      11                                                       
HETNAM      CL CHLORIDE ION                                                     
HETNAM      NA SODIUM ION                                                       
HETNAM     PO4 PHOSPHATE ION                                                    
HETNAM     GOL GLYCEROL                                                         
HETNAM     TAM TRIS(HYDROXYETHYL)AMINOMETHANE                                   
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   2   CL    CL 1-                                                        
FORMUL   3   NA    NA 1+                                                        
FORMUL   4  PO4    O4 P 3-                                                      
FORMUL   5  GOL    C3 H8 O3                                                     
FORMUL   6  TAM    C7 H17 N O3                                                  
FORMUL   7  HOH   *432(H2 O)                                                    
HELIX    1   1 GLY A    2  HIS A    8  1                                   7    
HELIX    2   2 ASP A   29  LYS A   34  5                                   6    
HELIX    3   3 LEU A   36  LEU A   40  5                                   5    
HELIX    4   4 ASN A   58  PHE A   62  5                                   5    
HELIX    5   5 ASP A   65  ASN A   69  5                                   5    
HELIX    6   6 LEU A   70  LEU A   84  1                                  15    
HELIX    7   7 SER A   95  ARG A  108  1                                  14    
HELIX    8   8 GLU A  135  ASN A  149  1                                  15    
HELIX    9   9 ASN A  149  GLY A  163  1                                  15    
HELIX   10  10 SER A  168  MET A  181  1                                  14    
HELIX   11  11 ARG A  182  GLN A  195  1                                  14    
HELIX   12  12 MET A  198  VAL A  205  5                                   8    
HELIX   13  13 PRO A  221  LEU A  232  1                                  12    
HELIX   14  14 LEU A  247  SER A  252  1                                   6    
HELIX   15  15 SER A  252  ASN A  266  1                                  15    
SHEET    1   A 7 LYS A  11  GLY A  14  0                                        
SHEET    2   A 7 ARG A  45  LEU A  48 -1  O  LEU A  48   N  LYS A  11           
SHEET    3   A 7 THR A  19  GLY A  23  1  N  ILE A  20   O  ARG A  45           
SHEET    4   A 7 CYS A  89  HIS A  94  1  O  VAL A  92   N  GLY A  23           
SHEET    5   A 7 PHE A 112  ILE A 118  1  O  VAL A 116   N  PHE A  91           
SHEET    6   A 7 CYS A 209  LYS A 216  1  O  HIS A 210   N  MET A 117           
SHEET    7   A 7 SER A 236  ASP A 244  1  O  VAL A 237   N  ILE A 211           
LINK        NA    NA A 302                 O   HOH A 573     1555   1555  2.46  
LINK         O   CYS A 234                NA    NA A 302     1555   1555  2.64  
LINK         OG  SER A 236                NA    NA A 302     1555   1555  2.70  
LINK         O   HIS A 229                NA    NA A 302     1555   1555  2.81  
LINK         O   LEU A 232                NA    NA A 302     1555   1555  2.87  
SITE     1 AC1  4 PRO A 109  PHE A 112  HOH A 576  HOH A 587                    
SITE     1 AC2  5 HIS A 229  LEU A 232  CYS A 234  SER A 236                    
SITE     2 AC2  5 HOH A 573                                                     
SITE     1 AC3  8 HIS A  39  ARG A 265  HOH A 478  HOH A 531                    
SITE     2 AC3  8 HOH A 600  HOH A 760  HOH A 796  HOH A 797                    
SITE     1 AC4  5 SER A  15  VAL A  41  ASP A  42  ASP A  63                    
SITE     2 AC4  5 HOH A 673                                                     
SITE     1 AC5 10 PHE A  26  SER A  95  TYR A 124  PHE A 157                    
SITE     2 AC5 10 ILE A 193  PHE A 194  ALA A 219  HIS A 246                    
SITE     3 AC5 10 HOH A 409  HOH A 427                                          
CRYST1   63.560   66.260   78.240  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      0.015733  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.015092  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012781        0.00000                         
TER    2112      ALA A 269                                                      
MASTER      313    0    5   15    7    0   10    6 2535    1   29   23          
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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