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Database: PDB
Entry: 4TJX
LinkDB: 4TJX
Original site: 4TJX 
HEADER    PROTEIN TRANSPORT                       25-MAY-14   4TJX              
TITLE     CRYSTAL STRUCTURE OF PROTEASE-ASSOCIATED DOMAIN OF ARABIDOPSIS VSR1 IN
TITLE    2 COMPLEX WITH ALEURAIN PEPTIDE                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: VACUOLAR-SORTING RECEPTOR 1;                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 20-182;                                       
COMPND   5 SYNONYM: ATVSR1,BP80-LIKE PROTEIN B,ATBP80B,EPIDERMAL GROWTH FACTOR  
COMPND   6 RECEPTOR-LIKE PROTEIN 1,ATELP1,SPOT 3 PROTEIN;                       
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: ALEURAIN PEPTIDE;                                          
COMPND  10 CHAIN: B;                                                            
COMPND  11 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS;                                    
SOURCE   4 ORGANISM_TAXID: 3702;                                                
SOURCE   5 GENE: VSR1, BP80B, ELP, ELP1, AT3G52850, F8J2.20;                    
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: HORDEUM VULGARE;                                
SOURCE  11 ORGANISM_TAXID: 4513                                                 
KEYWDS    COMPLEX STRUCTURE, LIGAND-BINDING DOMAIN, ALEURAIN PEPETIDE, BETA-    
KEYWDS   2 BARREL, PROTEIN TRANSPORT                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    F.LUO,Y.H.FONG,L.W.JIANG,K.B.WONG                                     
REVDAT   1   10-DEC-14 4TJX    0                                                
JRNL        AUTH   F.LUO,Y.H.FONG,Y.ZENG,J.SHEN,L.JIANG,K.B.WONG                
JRNL        TITL   HOW VACUOLAR SORTING RECEPTOR PROTEINS INTERACT WITH THEIR   
JRNL        TITL 2 CARGO PROTEINS: CRYSTAL STRUCTURES OF APO AND CARGO-BOUND    
JRNL        TITL 3 FORMS OF THE PROTEASE-ASSOCIATED DOMAIN FROM AN ARABIDOPSIS  
JRNL        TITL 4 VACUOLAR SORTING RECEPTOR.                                   
JRNL        REF    PLANT CELL                    V.  26  3693 2014              
JRNL        REFN                   ESSN 1532-298X                               
JRNL        PMID   25271241                                                     
JRNL        DOI    10.1105/TPC.114.129940                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.90 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8_1069)                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.58                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 94.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 10221                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.159                           
REMARK   3   R VALUE            (WORKING SET) : 0.154                           
REMARK   3   FREE R VALUE                     : 0.201                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.910                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1013                            
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 36.5874 -  3.6365    0.99     1401   153  0.1618 0.1703        
REMARK   3     2  3.6365 -  2.8868    0.97     1370   153  0.1451 0.2097        
REMARK   3     3  2.8868 -  2.5220    0.96     1351   151  0.1564 0.2070        
REMARK   3     4  2.5220 -  2.2914    0.94     1305   146  0.1541 0.2105        
REMARK   3     5  2.2914 -  2.1272    0.93     1295   135  0.1496 0.2065        
REMARK   3     6  2.1272 -  2.0018    0.92     1290   144  0.1485 0.2304        
REMARK   3     7  2.0018 -  1.9020    0.88     1196   131  0.1627 0.2437        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.140            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.970           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.006           1203                                  
REMARK   3   ANGLE     :  1.040           1632                                  
REMARK   3   CHIRALITY :  0.066            189                                  
REMARK   3   PLANARITY :  0.004            208                                  
REMARK   3   DIHEDRAL  : 10.375            438                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A):   5.7622  32.3256   9.9638              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0977 T22:   0.1111                                     
REMARK   3      T33:   0.0382 T12:  -0.0062                                     
REMARK   3      T13:  -0.0291 T23:   0.0068                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6136 L22:   0.5311                                     
REMARK   3      L33:   0.9104 L12:  -0.0722                                     
REMARK   3      L13:  -0.1864 L23:   0.4573                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0201 S12:  -0.0236 S13:  -0.0105                       
REMARK   3      S21:  -0.0004 S22:  -0.0235 S23:   0.0126                       
REMARK   3      S31:   0.0462 S32:  -0.0229 S33:  -0.0016                       
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 4TJX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-MAY-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000201736.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 07-DEC-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 93                                 
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU FR-E+ SUPERBRIGHT           
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.54                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV++                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 10308                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.900                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 36.580                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 94.1                               
REMARK 200  DATA REDUNDANCY                : 3.700                              
REMARK 200  R MERGE                    (I) : 0.03500                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 21.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.95                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 85.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.13400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 7.600                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: 4TJV                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 35.59                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.91                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M HEPES PH 7.0, 25% PEG 6000         
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       29.28100            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 470 ANGSTROM**2                           
REMARK 350 SURFACE AREA OF THE COMPLEX: 8090 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
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     GLY A    18                                                      
REMARK 465     SER A    19                                                      
REMARK 465     ARG A    20                                                      
REMARK 465     PHE A    21                                                      
REMARK 465     VAL A    22                                                      
REMARK 465     GLU A   132                                                      
REMARK 465     GLU A   133                                                      
REMARK 465     ASP A   134                                                      
REMARK 465     LYS A   135                                                      
REMARK 465     SER A   136                                                      
REMARK 465     ASP A   137                                                      
REMARK 465     ALA A   138                                                      
REMARK 465     PRO B     5                                                      
REMARK 465     ILE B     6                                                      
REMARK 465     ARG B     7                                                      
REMARK 465     PRO B     8                                                      
REMARK 465     VAL B     9                                                      
REMARK 465     THR B    10                                                      
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     ASN B   4    CA   C    O    CB   CG   OD1  ND2                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    HOH A   240     O    HOH A   272              2.10            
REMARK 500   O    HOH A   235     O    HOH A   240              2.17            
REMARK 500   O    HOH A   257     O    HOH A   345              2.19            
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    ASN A  46       33.07    -83.09                                   
REMARK 500    ASP A  97      -30.94     74.23                                   
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 355        DISTANCE =  5.97 ANGSTROMS                       
REMARK 525    HOH A 356        DISTANCE =  6.94 ANGSTROMS                       
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4TJV   RELATED DB: PDB                                   
DBREF  4TJX A   20   182  UNP    P93026   VSR1_ARATH      20    182             
DBREF  4TJX B    1    10  PDB    4TJX     4TJX             1     10             
SEQADV 4TJX GLY A   18  UNP  P93026              EXPRESSION TAG                 
SEQADV 4TJX SER A   19  UNP  P93026              EXPRESSION TAG                 
SEQRES   1 A  165  GLY SER ARG PHE VAL VAL GLU LYS ASN ASN LEU LYS VAL          
SEQRES   2 A  165  THR SER PRO ASP SER ILE LYS GLY ILE TYR GLU CYS ALA          
SEQRES   3 A  165  ILE GLY ASN PHE GLY VAL PRO GLN TYR GLY GLY THR LEU          
SEQRES   4 A  165  VAL GLY THR VAL VAL TYR PRO LYS SER ASN GLN LYS ALA          
SEQRES   5 A  165  CYS LYS SER TYR SER ASP PHE ASP ILE SER PHE LYS SER          
SEQRES   6 A  165  LYS PRO GLY ARG LEU PRO THR PHE VAL LEU ILE ASP ARG          
SEQRES   7 A  165  GLY ASP CYS TYR PHE THR LEU LYS ALA TRP ILE ALA GLN          
SEQRES   8 A  165  GLN ALA GLY ALA ALA ALA ILE LEU VAL ALA ASP SER LYS          
SEQRES   9 A  165  ALA GLU PRO LEU ILE THR MET ASP THR PRO GLU GLU ASP          
SEQRES  10 A  165  LYS SER ASP ALA ASP TYR LEU GLN ASN ILE THR ILE PRO          
SEQRES  11 A  165  SER ALA LEU ILE THR LYS THR LEU GLY ASP SER ILE LYS          
SEQRES  12 A  165  SER ALA LEU SER GLY GLY ASP MET VAL ASN MET LYS LEU          
SEQRES  13 A  165  ASP TRP THR GLU SER VAL PRO HIS PRO                          
SEQRES   1 B   10  ALA ASP SER ASN PRO ILE ARG PRO VAL THR                      
FORMUL   3  HOH   *160(H2 O)                                                    
HELIX    1 AA1 PRO A   33  LYS A   37  5                                   5    
HELIX    2 AA2 TYR A   73  ASP A   77  5                                   5    
HELIX    3 AA3 TYR A   99  ALA A  110  1                                  12    
HELIX    4 AA4 TYR A  140  ILE A  144  5                                   5    
HELIX    5 AA5 THR A  152  GLY A  165  1                                  14    
SHEET    1 AA1 8 LYS A  25  SER A  32  0                                        
SHEET    2 AA1 8 GLY A  38  ILE A  44 -1  O  TYR A  40   N  LEU A  28           
SHEET    3 AA1 8 SER A 148  ILE A 151 -1  O  LEU A 150   N  ALA A  43           
SHEET    4 AA1 8 ALA A 114  ALA A 118  1  N  VAL A 117   O  ALA A 149           
SHEET    5 AA1 8 THR A  89  ASP A  94  1  N  ILE A  93   O  LEU A 116           
SHEET    6 AA1 8 THR A  55  VAL A  61  1  N  THR A  59   O  PHE A  90           
SHEET    7 AA1 8 VAL A 169  ASP A 174 -1  O  VAL A 169   N  VAL A  60           
SHEET    8 AA1 8 LYS A  25  SER A  32 -1  N  LYS A  29   O  LYS A 172           
SSBOND   1 CYS A   70    CYS A   98                          1555   1555  2.07  
CISPEP   1 SER A   32    PRO A   33          0        -0.60                     
CRYST1   32.513   58.562   36.583  90.00  90.65  90.00 P 1 21 1      2          
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      0.030757  0.000000  0.000349        0.00000                         
SCALE2      0.000000  0.017076  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.027337        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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