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Database: PDB
Entry: 3VPY
LinkDB: 3VPY
Original site: 3VPY 
HEADER    PROTEIN BINDING                         15-MAR-12   3VPY              
TITLE     CRYSTAL STRUCTURE OF ARABIDOPSIS DDL FHA DOMAIN                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FHA DOMAIN-CONTAINING PROTEIN DDL;                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: DDL FHA DOMAIN, UNP RESIDUES 181-310;                      
COMPND   5 SYNONYM: PROTEIN DAWDLE;                                             
COMPND   6 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: DDL, AT3G20550, K10D20.9;                                      
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    FHA DOMAIN, DCL1 PT RECOGNITION, ARABIDOPSIS DCL1, PROTEIN BINDING    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Y.A.YUAN,S.MACHIDA                                                    
REVDAT   1   06-FEB-13 3VPY    0                                                
JRNL        AUTH   S.MACHIDA,A.Y.YUAN                                           
JRNL        TITL   CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA DAWDLE             
JRNL        TITL 2 FORKHEAD-ASSOCIATED DOMAIN REVEALS A CONSERVED               
JRNL        TITL 3 PHOSPHO-THREONINE RECOGNITION CLEFT FOR DICER-LIKE1 BINDING. 
JRNL        REF    MOL PLANT                                  2013              
JRNL        REFN                   ESSN 1752-9867                               
JRNL        PMID   23313986                                                     
JRNL        DOI    10.1093/MP/SST007                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.70 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.2.0019                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.37                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 13269                          
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) : 0.192                           
REMARK   3   R VALUE            (WORKING SET) : 0.188                           
REMARK   3   FREE R VALUE                     : 0.231                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.100                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 1487                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.70                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.75                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 937                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 99.15                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2090                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 118                          
REMARK   3   BIN FREE R VALUE                    : 0.2830                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1162                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 140                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 22.62                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.32000                                              
REMARK   3    B22 (A**2) : -0.54000                                             
REMARK   3    B33 (A**2) : 0.21000                                              
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 OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.133         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.128         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.072         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.100         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.955                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.929                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1191 ; 0.011 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  1609 ; 1.285 ; 1.972       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   144 ; 6.472 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    59 ;35.727 ;23.559       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   206 ;13.579 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    10 ;14.691 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   165 ; 0.091 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   927 ; 0.006 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):   465 ; 0.205 ; 0.200       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):   806 ; 0.301 ; 0.200       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):   101 ; 0.109 ; 0.200       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):    49 ; 0.180 ; 0.200       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):    30 ; 0.155 ; 0.200       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):   747 ; 0.850 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  1169 ; 1.369 ; 2.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   499 ; 2.562 ; 3.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   440 ; 4.016 ; 4.500       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     1        A   141                          
REMARK   3    ORIGIN FOR THE GROUP (A):  46.5174  30.7025   0.6246              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.1133 T22:  -0.0987                                     
REMARK   3      T33:  -0.0991 T12:   0.0003                                     
REMARK   3      T13:   0.0075 T23:   0.0100                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8928 L22:   1.5935                                     
REMARK   3      L33:   1.2847 L12:   0.0838                                     
REMARK   3      L13:   0.1633 L23:  -0.6027                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0303 S12:   0.1233 S13:   0.0002                       
REMARK   3      S21:  -0.1012 S22:   0.0073 S23:   0.0266                       
REMARK   3      S31:   0.0306 S32:   0.0598 S33:  -0.0376                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS                                                           
REMARK   4                                                                      
REMARK   4 3VPY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-MAR-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB095354.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 06-MAR-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9792                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13269                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.700                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 36.370                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY                : 7.600                              
REMARK 200  R MERGE                    (I) : 0.06400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.73                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.52100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.300                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: MAD                                            
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: SHARP                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 36.31                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.93                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG, HEPES, AS, PH 6.5, VAPOR            
REMARK 280  DIFFUSION, HANGING 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       24.28200            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       27.34400            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       24.35450            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       27.34400            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       24.28200            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       24.35450            
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 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     THR A   1    OG1  CG2                                            
REMARK 470     ASN A 132    CG   OD1  ND2                                       
REMARK 470     SER A 133    OG                                                  
REMARK 470     GLU A 135    CG   CD   OE1  OE2                                  
REMARK 470     LEU A 136    CG   CD1  CD2                                       
REMARK 470     GLU A 137    CG   CD   OE1  OE2                                  
REMARK 470     HIS A 138    CG   ND1  CD2  CE1  NE2                             
REMARK 470     HIS A 139    CG   ND1  CD2  CE1  NE2                             
REMARK 470     HIS A 140    CG   ND1  CD2  CE1  NE2                             
REMARK 470     HIS A 141    CG   ND1  CD2  CE1  NE2                             
REMARK 470     HIS A 142    CG   ND1  CD2  CE1  NE2                             
REMARK 470     HIS A 143    CG   ND1  CD2  CE1  NE2                             
REMARK 470     HIS A 144    CG   ND1  CD2  CE1  NE2                             
REMARK 470     HIS A 145    CG   ND1  CD2  CE1  NE2                             
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    HIS A  35       14.21   -141.86                                   
REMARK 500    LEU A  90       33.75    -98.42                                   
REMARK 500    LYS A  95      166.52     80.67                                   
REMARK 500    LYS A 114       -2.11     82.97                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  3VPY A    1   131  UNP    Q8W4D8   DDL_ARATH      180    310             
SEQADV 3VPY ASN A  132  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY SER A  133  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY ALA A  134  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY GLU A  135  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY LEU A  136  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY GLU A  137  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY HIS A  138  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY HIS A  139  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY HIS A  140  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY HIS A  141  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY HIS A  142  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY HIS A  143  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY HIS A  144  UNP  Q8W4D8              EXPRESSION TAG                 
SEQADV 3VPY HIS A  145  UNP  Q8W4D8              EXPRESSION TAG                 
SEQRES   1 A  145  THR LEU LEU PHE ASN GLU PRO PRO GLU ALA ARG LYS PRO          
SEQRES   2 A  145  SER GLU ARG TRP ARG LEU TYR VAL PHE LYS ASP GLY GLU          
SEQRES   3 A  145  PRO LEU ASN GLU PRO LEU CYS LEU HIS ARG GLN SER CYS          
SEQRES   4 A  145  TYR LEU PHE GLY ARG GLU ARG ARG ILE ALA ASP ILE PRO          
SEQRES   5 A  145  THR ASP HIS PRO SER CYS SER LYS GLN HIS ALA VAL ILE          
SEQRES   6 A  145  GLN TYR ARG GLU MSE GLU LYS GLU LYS PRO ASP GLY MSE          
SEQRES   7 A  145  MSE GLY LYS GLN VAL LYS PRO TYR ILE MSE ASP LEU GLY          
SEQRES   8 A  145  SER THR ASN LYS THR TYR ILE ASN GLU SER PRO ILE GLU          
SEQRES   9 A  145  PRO GLN ARG TYR TYR GLU LEU PHE GLU LYS ASP THR ILE          
SEQRES  10 A  145  LYS PHE GLY ASN SER SER ARG GLU TYR VAL LEU LEU HIS          
SEQRES  11 A  145  GLU ASN SER ALA GLU LEU GLU HIS HIS HIS HIS HIS HIS          
SEQRES  12 A  145  HIS HIS                                                      
MODRES 3VPY MSE A   70  MET  SELENOMETHIONINE                                   
MODRES 3VPY MSE A   78  MET  SELENOMETHIONINE                                   
MODRES 3VPY MSE A   79  MET  SELENOMETHIONINE                                   
MODRES 3VPY MSE A   88  MET  SELENOMETHIONINE                                   
HET    MSE  A  70       8                                                       
HET    MSE  A  78       8                                                       
HET    MSE  A  79       8                                                       
HET    MSE  A  88       8                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
FORMUL   1  MSE    4(C5 H11 N O2 SE)                                            
FORMUL   2  HOH   *140(H2 O)                                                    
HELIX    1   1 SER A  133  HIS A  145  1                                  13    
SHEET    1   A 3 GLU A  26  PRO A  27  0                                        
SHEET    2   A 3 ARG A  18  LYS A  23 -1  N  LYS A  23   O  GLU A  26           
SHEET    3   A 3 LEU A  32  CYS A  33 -1  O  LEU A  32   N  LEU A  19           
SHEET    1   B 6 GLU A  26  PRO A  27  0                                        
SHEET    2   B 6 ARG A  18  LYS A  23 -1  N  LYS A  23   O  GLU A  26           
SHEET    3   B 6 ARG A 124  LEU A 129 -1  O  LEU A 129   N  ARG A  18           
SHEET    4   B 6 THR A 116  PHE A 119 -1  N  ILE A 117   O  TYR A 126           
SHEET    5   B 6 THR A  96  ILE A  98 -1  N  TYR A  97   O  LYS A 118           
SHEET    6   B 6 SER A 101  PRO A 102 -1  O  SER A 101   N  ILE A  98           
SHEET    1   C 5 ILE A  51  PRO A  52  0                                        
SHEET    2   C 5 CYS A  39  GLY A  43  1  N  LEU A  41   O  ILE A  51           
SHEET    3   C 5 ALA A  63  GLU A  73 -1  O  ALA A  63   N  PHE A  42           
SHEET    4   C 5 MSE A  79  ASP A  89 -1  O  TYR A  86   N  GLN A  66           
SHEET    5   C 5 TYR A 109  GLU A 110 -1  O  TYR A 109   N  ILE A  87           
LINK         C   GLU A  69                 N   MSE A  70     1555   1555  1.34  
LINK         C   MSE A  70                 N   GLU A  71     1555   1555  1.33  
LINK         C   GLY A  77                 N   MSE A  78     1555   1555  1.33  
LINK         C   MSE A  78                 N   MSE A  79     1555   1555  1.33  
LINK         C   MSE A  79                 N   GLY A  80     1555   1555  1.33  
LINK         C   ILE A  87                 N   MSE A  88     1555   1555  1.33  
LINK         C   MSE A  88                 N   ASP A  89     1555   1555  1.33  
CRYST1   48.564   48.709   54.688  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      0.020591  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.020530  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.018286        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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