GenomeNet

Database: PDB
Entry: 5N9B
LinkDB: 5N9B
Original site: 5N9B 
HEADER    SIGNALING PROTEIN                       24-FEB-17   5N9B              
TITLE     CRYSTAL STRUCTURE OF UNLIGANDED HUMAN IL-17RA                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTERLEUKIN-17 RECEPTOR A;                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: EXTRACELLULAR DOMAIN, UNP RSIDUES 33-318;                  
COMPND   5 SYNONYM: IL-17RA,CDW217;                                             
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: IL17RA, IL17R;                                                 
SOURCE   6 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE   7 EXPRESSION_SYSTEM_COMMON: HUMAN;                                     
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE   9 EXPRESSION_SYSTEM_CELL_LINE: HEK293S GNTI-;                          
SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PRS5                                      
KEYWDS    FIBRONECTIN TYPE III, SIGNALING PROTEIN                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.-M.RONDEAU,A.GOEPFERT                                               
REVDAT   3   29-JUL-20 5N9B    1       COMPND REMARK HETNAM LINK                
REVDAT   3 2                   1       SITE                                     
REVDAT   2   12-JUN-19 5N9B    1       JRNL                                     
REVDAT   1   13-JUN-18 5N9B    0                                                
JRNL        AUTH   A.GOEPFERT,S.LEHMANN,E.WIRTH,J.-M.RONDEAU                    
JRNL        TITL   X-RAY STUDIES ON THE IL-17A/F HETERODIMER REVEAL A TWO-FACED 
JRNL        TITL 2 CYTOKINE AND PROVIDE NEW STRUCTURAL INSIGHTS INTO IL-17      
JRNL        TITL 3 SIGNALING                                                    
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.90 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : BUSTER 2.11.6                                        
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) : 1.90                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 59.27                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 24918                          
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)  : 0.190                          
REMARK   3   FREE R VALUE                      : 0.234                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%)  : 5.000                          
REMARK   3   FREE R VALUE TEST SET COUNT       : 1246                           
REMARK   3   ESTIMATED ERROR OF FREE R VALUE   : 0.000                          
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED               : 13                       
REMARK   3   BIN RESOLUTION RANGE HIGH   (ANGSTROMS) : 1.90                     
REMARK   3   BIN RESOLUTION RANGE LOW    (ANGSTROMS) : 1.98                     
REMARK   3   BIN COMPLETENESS (WORKING+TEST)     (%) : 99.82                    
REMARK   3   REFLECTIONS IN BIN (WORKING + TEST SET) : 2755                     
REMARK   3   BIN R VALUE        (WORKING + TEST SET) : 0.2280                   
REMARK   3   REFLECTIONS IN BIN        (WORKING SET) : 2618                     
REMARK   3   BIN R VALUE               (WORKING SET) : 0.2270                   
REMARK   3   BIN FREE R VALUE                        : 0.2310                   
REMARK   3   BIN FREE R VALUE TEST SET SIZE      (%) : 4.97                     
REMARK   3   BIN FREE R VALUE TEST SET COUNT         : 137                      
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE     : 0.000                    
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1989                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 56                                      
REMARK   3   SOLVENT ATOMS            : 189                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 31.43                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 38.76                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -8.45620                                             
REMARK   3    B22 (A**2) : 6.13200                                              
REMARK   3    B33 (A**2) : 2.32420                                              
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) : 0.240               
REMARK   3   DPI (BLOW EQ-10) BASED ON R VALUE        (A) : 0.144               
REMARK   3   DPI (BLOW EQ-9) BASED ON FREE R VALUE    (A) : 0.138               
REMARK   3   DPI (CRUICKSHANK) BASED ON R VALUE       (A) : 0.135               
REMARK   3   DPI (CRUICKSHANK) BASED ON FREE R VALUE  (A) : 0.133               
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      : 0.941                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.920                         
REMARK   3                                                                      
REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15                    
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.          
REMARK   3    BOND LENGTHS              : 2109   ; 2.000  ; HARMONIC            
REMARK   3    BOND ANGLES               : 2877   ; 2.000  ; HARMONIC            
REMARK   3    TORSION ANGLES            : 730    ; 2.000  ; SINUSOIDAL          
REMARK   3    TRIGONAL CARBON PLANES    : 51     ; 2.000  ; HARMONIC            
REMARK   3    GENERAL PLANES            : 306    ; 5.000  ; HARMONIC            
REMARK   3    ISOTROPIC THERMAL FACTORS : 2109   ; 20.000 ; HARMONIC            
REMARK   3    BAD NON-BONDED CONTACTS   : NULL   ; NULL   ; NULL                
REMARK   3    IMPROPER TORSIONS         : NULL   ; NULL   ; NULL                
REMARK   3    PSEUDOROTATION ANGLES     : NULL   ; NULL   ; NULL                
REMARK   3    CHIRAL IMPROPER TORSION   : 284    ; 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   : 2304   ; 4.000  ; SEMIHARMONIC        
REMARK   3                                                                      
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.                                  
REMARK   3    BOND LENGTHS                       (A) : 0.010                    
REMARK   3    BOND ANGLES                  (DEGREES) : 1.10                     
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 3.71                     
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : 17.30                    
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: { A|* }                                                
REMARK   3    ORIGIN FOR THE GROUP (A):   -5.9972  -19.7529   17.5814           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0475 T22:   -0.0188                                    
REMARK   3     T33:   -0.1011 T12:   -0.0038                                    
REMARK   3     T13:   -0.0243 T23:   -0.0109                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.3594 L22:    1.6146                                    
REMARK   3     L33:    0.6070 L12:    0.3473                                    
REMARK   3     L13:   -0.2233 L23:   -0.7511                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0198 S12:    0.0590 S13:    0.0053                     
REMARK   3     S21:   -0.1848 S22:   -0.0109 S23:    0.0561                     
REMARK   3     S31:    0.0673 S32:    0.0139 S33:    0.0307                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5N9B COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 24-FEB-17.                  
REMARK 100 THE DEPOSITION ID IS D_1200003718.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 25-OCT-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SLS                                
REMARK 200  BEAMLINE                       : X10SA                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.000010                           
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M-F               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 24921                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.900                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 59.270                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY                : 6.263                              
REMARK 200  R MERGE                    (I) : 0.10400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 11.8000                            
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     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 6.53                               
REMARK 200  R MERGE FOR SHELL          (I) : 1.12500                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.730                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 4HSA                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 46.74                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.31                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: TRIS-HCL, PEG 2000 MME, LITHIUM          
REMARK 280  SULFATE, PH 7.0, VAPOR DIFFUSION, 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       20.29650            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       52.69250            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       35.84250            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       52.69250            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       20.29650            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       35.84250            
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 TOTAL BURIED SURFACE AREA: 670 ANGSTROM**2                           
REMARK 350 SURFACE AREA OF THE COMPLEX: 14860 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 9.0 KCAL/MOL                          
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     ASP A    59                                                      
REMARK 465     ASP A    60                                                      
REMARK 465     SER A    61                                                      
REMARK 465     TRP A    62                                                      
REMARK 465     ILE A    63                                                      
REMARK 465     HIS A    64                                                      
REMARK 465     PRO A    65                                                      
REMARK 465     ARG A    66                                                      
REMARK 465     ASN A    67                                                      
REMARK 465     LEU A    68                                                      
REMARK 465     THR A    69                                                      
REMARK 465     PRO A    70                                                      
REMARK 465     SER A    71                                                      
REMARK 465     SER A   133                                                      
REMARK 465     LYS A   134                                                      
REMARK 465     LEU A   135                                                      
REMARK 465     ARG A   136                                                      
REMARK 465     HIS A   137                                                      
REMARK 465     HIS A   138                                                      
REMARK 465     HIS A   139                                                      
REMARK 465     LYS A   166                                                      
REMARK 465     PRO A   167                                                      
REMARK 465     ILE A   168                                                      
REMARK 465     PRO A   169                                                      
REMARK 465     ASP A   170                                                      
REMARK 465     GLY A   171                                                      
REMARK 465     ASP A   172                                                      
REMARK 465     PRO A   173                                                      
REMARK 465     ASN A   174                                                      
REMARK 465     MET A   306                                                      
REMARK 465     PRO A   307                                                      
REMARK 465     ASP A   308                                                      
REMARK 465     THR A   309                                                      
REMARK 465     PRO A   310                                                      
REMARK 465     GLU A   311                                                      
REMARK 465     PRO A   312                                                      
REMARK 465     ILE A   313                                                      
REMARK 465     PRO A   314                                                      
REMARK 465     ASP A   315                                                      
REMARK 465     TYR A   316                                                      
REMARK 465     MET A   317                                                      
REMARK 465     PRO A   318                                                      
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    ALA A 214       56.89   -101.11                                   
REMARK 500    TRP A 224     -159.76    -93.98                                   
REMARK 500    LEU A 291     -109.66     47.38                                   
REMARK 500    PRO A 304       45.51    -87.35                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5N92   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF FREE IL-17A/F                                   
DBREF  5N9B A   33   318  UNP    Q96F46   I17RA_HUMAN     33    318             
SEQRES   1 A  286  LEU ARG LEU LEU ASP HIS ARG ALA LEU VAL CYS SER GLN          
SEQRES   2 A  286  PRO GLY LEU ASN CYS THR VAL LYS ASN SER THR CYS LEU          
SEQRES   3 A  286  ASP ASP SER TRP ILE HIS PRO ARG ASN LEU THR PRO SER          
SEQRES   4 A  286  SER PRO LYS ASP LEU GLN ILE GLN LEU HIS PHE ALA HIS          
SEQRES   5 A  286  THR GLN GLN GLY ASP LEU PHE PRO VAL ALA HIS ILE GLU          
SEQRES   6 A  286  TRP THR LEU GLN THR ASP ALA SER ILE LEU TYR LEU GLU          
SEQRES   7 A  286  GLY ALA GLU LEU SER VAL LEU GLN LEU ASN THR ASN GLU          
SEQRES   8 A  286  ARG LEU CYS VAL ARG PHE GLU PHE LEU SER LYS LEU ARG          
SEQRES   9 A  286  HIS HIS HIS ARG ARG TRP ARG PHE THR PHE SER HIS PHE          
SEQRES  10 A  286  VAL VAL ASP PRO ASP GLN GLU TYR GLU VAL THR VAL HIS          
SEQRES  11 A  286  HIS LEU PRO LYS PRO ILE PRO ASP GLY ASP PRO ASN HIS          
SEQRES  12 A  286  GLN SER LYS ASN PHE LEU VAL PRO ASP CYS GLU HIS ALA          
SEQRES  13 A  286  ARG MET LYS VAL THR THR PRO CYS MET SER SER GLY SER          
SEQRES  14 A  286  LEU TRP ASP PRO ASN ILE THR VAL GLU THR LEU GLU ALA          
SEQRES  15 A  286  HIS GLN LEU ARG VAL SER PHE THR LEU TRP ASN GLU SER          
SEQRES  16 A  286  THR HIS TYR GLN ILE LEU LEU THR SER PHE PRO HIS MET          
SEQRES  17 A  286  GLU ASN HIS SER CYS PHE GLU HIS MET HIS HIS ILE PRO          
SEQRES  18 A  286  ALA PRO ARG PRO GLU GLU PHE HIS GLN ARG SER ASN VAL          
SEQRES  19 A  286  THR LEU THR LEU ARG ASN LEU LYS GLY CYS CYS ARG HIS          
SEQRES  20 A  286  GLN VAL GLN ILE GLN PRO PHE PHE SER SER CYS LEU ASN          
SEQRES  21 A  286  ASP CYS LEU ARG HIS SER ALA THR VAL SER CYS PRO GLU          
SEQRES  22 A  286  MET PRO ASP THR PRO GLU PRO ILE PRO ASP TYR MET PRO          
HET    NAG  A 401      14                                                       
HET    NAG  A 402      14                                                       
HET    NAG  A 403      14                                                       
HET    NAG  A 404      14                                                       
HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
FORMUL   2  NAG    4(C8 H15 N O6)                                               
FORMUL   6  HOH   *189(H2 O)                                                    
HELIX    1 AA1 HIS A  187  VAL A  192  1                                   6    
HELIX    2 AA2 THR A  193  SER A  199  1                                   7    
HELIX    3 AA3 ARG A  256  PHE A  260  5                                   5    
SHEET    1 AA1 4 ARG A  34  LEU A  35  0                                        
SHEET    2 AA1 4 ARG A 141  VAL A 150 -1  O  VAL A 150   N  ARG A  34           
SHEET    3 AA1 4 LEU A  90  GLN A 101 -1  N  TRP A  98   O  PHE A 144           
SHEET    4 AA1 4 LYS A  74  HIS A  84 -1  N  GLN A  79   O  HIS A  95           
SHEET    1 AA2 6 LEU A  41  VAL A  42  0                                        
SHEET    2 AA2 6 CYS A  50  SER A  55 -1  O  VAL A  52   N  LEU A  41           
SHEET    3 AA2 6 ARG A 124  PHE A 131 -1  O  GLU A 130   N  THR A  51           
SHEET    4 AA2 6 GLY A 111  GLN A 118 -1  N  ALA A 112   O  PHE A 129           
SHEET    5 AA2 6 GLU A 156  LEU A 164 -1  O  HIS A 162   N  GLU A 113           
SHEET    6 AA2 6 GLN A 176  LEU A 181 -1  O  LYS A 178   N  VAL A 159           
SHEET    1 AA3 3 THR A 208  LEU A 212  0                                        
SHEET    2 AA3 3 GLN A 216  THR A 222 -1  O  GLN A 216   N  LEU A 212           
SHEET    3 AA3 3 ARG A 263  THR A 269 -1  O  VAL A 266   N  VAL A 219           
SHEET    1 AA4 4 PHE A 246  ILE A 252  0                                        
SHEET    2 AA4 4 TYR A 230  PHE A 237 -1  N  LEU A 234   O  HIS A 248           
SHEET    3 AA4 4 ARG A 278  PRO A 285 -1  O  GLN A 280   N  THR A 235           
SHEET    4 AA4 4 HIS A 297  VAL A 301 -1  O  HIS A 297   N  ILE A 283           
SSBOND   1 CYS A   43    CYS A   50                          1555   1555  2.06  
SSBOND   2 CYS A   57    CYS A  126                          1555   1555  2.05  
SSBOND   3 CYS A  185    CYS A  196                          1555   1555  2.06  
SSBOND   4 CYS A  245    CYS A  276                          1555   1555  2.04  
SSBOND   5 CYS A  277    CYS A  303                          1555   1555  2.03  
SSBOND   6 CYS A  290    CYS A  294                          1555   1555  2.03  
LINK         ND2 ASN A 206                 C1  NAG A 402     1555   1555  1.43  
LINK         ND2 ASN A 225                 C1  NAG A 404     1555   1555  1.43  
LINK         ND2 ASN A 242                 C1  NAG A 403     1555   1555  1.43  
LINK         ND2 ASN A 265                 C1  NAG A 401     1555   1555  1.43  
CISPEP   1 LEU A  164    PRO A  165          0        -2.27                     
CRYST1   40.593   71.685  105.385  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      0.024635  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.013950  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009489        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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