GenomeNet

Database: PDB
Entry: 5XMC
LinkDB: 5XMC
Original site: 5XMC 
HEADER    LIGASE                                  13-MAY-17   5XMC              
TITLE     CRYSTAL STRUCTURE OF THE AUTO-INHIBITED NEDD4 FAMILY E3 LIGASE ITCH   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE ITCHY;                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: NEDD4 FAMILY E3 LIGASE ITCH, UNP RESIDUES 143-864;         
COMPND   5 SYNONYM: HECT-TYPE E3 UBIQUITIN TRANSFERASE ITCHY HOMOLOG;           
COMPND   6 EC: 2.3.2.26;                                                        
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: ITCH;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21                                       
KEYWDS    AUTO-INHIBITED ITCH, LIGASE                                           
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Z.SHAN,W.WEN                                                          
REVDAT   2   13-SEP-17 5XMC    1       JRNL                                     
REVDAT   1   02-AUG-17 5XMC    0                                                
JRNL        AUTH   K.ZHU,Z.SHAN,X.CHEN,Y.CAI,L.CUI,W.YAO,Z.WANG,P.SHI,C.TIAN,   
JRNL        AUTH 2 J.LOU,Y.XIE,W.WEN                                            
JRNL        TITL   ALLOSTERIC AUTO-INHIBITION AND ACTIVATION OF THE NEDD4       
JRNL        TITL 2 FAMILY E3 LIGASE ITCH                                        
JRNL        REF    EMBO REP.                     V.  18  1618 2017              
JRNL        REFN                   ESSN 1469-3178                               
JRNL        PMID   28747490                                                     
JRNL        DOI    10.15252/EMBR.201744454                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.8.2_1309                                    
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 : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 47.59                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 21563                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.216                           
REMARK   3   R VALUE            (WORKING SET) : 0.214                           
REMARK   3   FREE R VALUE                     : 0.262                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.090                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1098                            
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 47.6009 -  5.1981    0.99     2760   148  0.2292 0.2688        
REMARK   3     2  5.1981 -  4.1266    0.99     2657   138  0.1775 0.2391        
REMARK   3     3  4.1266 -  3.6052    1.00     2612   158  0.1921 0.2299        
REMARK   3     4  3.6052 -  3.2757    1.00     2636   136  0.2059 0.2519        
REMARK   3     5  3.2757 -  3.0409    1.00     2611   132  0.2336 0.2954        
REMARK   3     6  3.0409 -  2.8617    1.00     2588   136  0.2342 0.2613        
REMARK   3     7  2.8617 -  2.7184    0.97     2511   145  0.2475 0.3175        
REMARK   3     8  2.7184 -  2.6001    0.81     2090   105  0.2629 0.3396        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
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)     : 0.340            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.950           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 38.20                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 46.12                          
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      :  0.008           3401                                  
REMARK   3   ANGLE     :  1.059           4622                                  
REMARK   3   CHIRALITY :  0.077            476                                  
REMARK   3   PLANARITY :  0.005            602                                  
REMARK   3   DIHEDRAL  : 16.285           1200                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 4                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 287 THROUGH 503 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   8.2714 -10.0217 -44.2425              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2827 T22:   0.2528                                     
REMARK   3      T33:   0.2444 T12:  -0.0398                                     
REMARK   3      T13:   0.0712 T23:   0.0625                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8671 L22:   1.1638                                     
REMARK   3      L33:   2.2490 L12:  -0.9241                                     
REMARK   3      L13:  -0.6562 L23:   1.2338                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0433 S12:   0.1261 S13:   0.0820                       
REMARK   3      S21:  -0.0421 S22:  -0.1072 S23:  -0.0886                       
REMARK   3      S31:   0.0830 S32:  -0.0152 S33:   0.0714                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 504 THROUGH 635 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.2292  -1.5285 -35.5687              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2324 T22:   0.2282                                     
REMARK   3      T33:   0.1462 T12:  -0.0190                                     
REMARK   3      T13:   0.0137 T23:  -0.0298                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5239 L22:   4.4063                                     
REMARK   3      L33:   4.2110 L12:  -0.3910                                     
REMARK   3      L13:  -0.6678 L23:   0.9056                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0225 S12:   0.2018 S13:  -0.0720                       
REMARK   3      S21:  -0.3412 S22:  -0.0593 S23:   0.0110                       
REMARK   3      S31:   0.1690 S32:  -0.3229 S33:   0.0408                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 636 THROUGH 725 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  15.5130   3.6310 -31.3617              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2894 T22:   0.4735                                     
REMARK   3      T33:   0.5758 T12:  -0.0085                                     
REMARK   3      T13:   0.1698 T23:   0.0563                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3388 L22:   1.1648                                     
REMARK   3      L33:   2.3195 L12:  -0.8184                                     
REMARK   3      L13:   1.0257 L23:   0.4616                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0544 S12:   0.0297 S13:  -0.0343                       
REMARK   3      S21:  -0.3124 S22:  -0.0045 S23:  -0.7895                       
REMARK   3      S31:  -0.1083 S32:   0.8120 S33:  -0.3951                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 726 THROUGH 859 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  11.3573  -6.2988 -10.9644              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7564 T22:   0.6114                                     
REMARK   3      T33:   0.3316 T12:   0.2918                                     
REMARK   3      T13:  -0.1767 T23:  -0.0672                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7178 L22:   1.1161                                     
REMARK   3      L33:   1.8024 L12:  -0.5192                                     
REMARK   3      L13:   0.4653 L23:   0.3393                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0517 S12:  -0.5232 S13:  -0.1625                       
REMARK   3      S21:   0.6395 S22:   0.3549 S23:  -0.4355                       
REMARK   3      S31:   0.9301 S32:   0.6142 S33:  -0.0951                       
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 5XMC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-MAY-17.                  
REMARK 100 THE DEPOSITION ID IS D_1300003767.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 23-MAR-15                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL18U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.975                              
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL                     
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 6M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL                                
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 22580                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY                : 4.700                              
REMARK 200  R MERGE                    (I) : 0.07100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.7000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.49800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 3TUG                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 41.36                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 50MM CITRIC ACID, 50MM BIS-TRIS          
REMARK 280  PROPONE, PH 5.5, 16% PEG 3350, EVAPORATION, TEMPERATURE 289K        
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       34.79300            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       65.23750            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       38.54200            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       65.23750            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       34.79300            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       38.54200            
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: 0 ANGSTROM**2                             
REMARK 350 SURFACE AREA OF THE COMPLEX: 19740 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 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     GLN A   143                                                      
REMARK 465     VAL A   144                                                      
REMARK 465     GLU A   145                                                      
REMARK 465     ALA A   146                                                      
REMARK 465     GLU A   147                                                      
REMARK 465     VAL A   148                                                      
REMARK 465     VAL A   149                                                      
REMARK 465     THR A   150                                                      
REMARK 465     ASN A   151                                                      
REMARK 465     GLY A   152                                                      
REMARK 465     GLU A   153                                                      
REMARK 465     THR A   154                                                      
REMARK 465     SER A   155                                                      
REMARK 465     CYS A   156                                                      
REMARK 465     SER A   157                                                      
REMARK 465     GLU A   158                                                      
REMARK 465     SER A   159                                                      
REMARK 465     THR A   160                                                      
REMARK 465     THR A   161                                                      
REMARK 465     GLN A   162                                                      
REMARK 465     ASN A   163                                                      
REMARK 465     ASP A   164                                                      
REMARK 465     ASP A   165                                                      
REMARK 465     GLY A   166                                                      
REMARK 465     CYS A   167                                                      
REMARK 465     ARG A   168                                                      
REMARK 465     THR A   169                                                      
REMARK 465     ARG A   170                                                      
REMARK 465     ASP A   171                                                      
REMARK 465     ASP A   172                                                      
REMARK 465     THR A   173                                                      
REMARK 465     ARG A   174                                                      
REMARK 465     VAL A   175                                                      
REMARK 465     SER A   176                                                      
REMARK 465     THR A   177                                                      
REMARK 465     ASN A   178                                                      
REMARK 465     GLY A   179                                                      
REMARK 465     SER A   180                                                      
REMARK 465     GLU A   181                                                      
REMARK 465     ASP A   182                                                      
REMARK 465     PRO A   183                                                      
REMARK 465     GLU A   184                                                      
REMARK 465     VAL A   185                                                      
REMARK 465     ALA A   186                                                      
REMARK 465     ALA A   187                                                      
REMARK 465     SER A   188                                                      
REMARK 465     GLY A   189                                                      
REMARK 465     GLU A   190                                                      
REMARK 465     ASN A   191                                                      
REMARK 465     LYS A   192                                                      
REMARK 465     ARG A   193                                                      
REMARK 465     ALA A   194                                                      
REMARK 465     ASN A   195                                                      
REMARK 465     GLY A   196                                                      
REMARK 465     ASN A   197                                                      
REMARK 465     ASN A   198                                                      
REMARK 465     SER A   199                                                      
REMARK 465     PRO A   200                                                      
REMARK 465     SER A   201                                                      
REMARK 465     LEU A   202                                                      
REMARK 465     SER A   203                                                      
REMARK 465     ASN A   204                                                      
REMARK 465     GLY A   205                                                      
REMARK 465     GLY A   206                                                      
REMARK 465     PHE A   207                                                      
REMARK 465     LYS A   208                                                      
REMARK 465     PRO A   209                                                      
REMARK 465     SER A   210                                                      
REMARK 465     ARG A   211                                                      
REMARK 465     PRO A   212                                                      
REMARK 465     PRO A   213                                                      
REMARK 465     ARG A   214                                                      
REMARK 465     PRO A   215                                                      
REMARK 465     SER A   216                                                      
REMARK 465     ARG A   217                                                      
REMARK 465     PRO A   218                                                      
REMARK 465     PRO A   219                                                      
REMARK 465     PRO A   220                                                      
REMARK 465     PRO A   221                                                      
REMARK 465     THR A   222                                                      
REMARK 465     PRO A   223                                                      
REMARK 465     ARG A   224                                                      
REMARK 465     ARG A   225                                                      
REMARK 465     PRO A   226                                                      
REMARK 465     ALA A   227                                                      
REMARK 465     SER A   228                                                      
REMARK 465     VAL A   229                                                      
REMARK 465     ASN A   230                                                      
REMARK 465     GLY A   231                                                      
REMARK 465     SER A   232                                                      
REMARK 465     PRO A   233                                                      
REMARK 465     SER A   234                                                      
REMARK 465     THR A   235                                                      
REMARK 465     ASN A   236                                                      
REMARK 465     SER A   237                                                      
REMARK 465     ASP A   238                                                      
REMARK 465     SER A   239                                                      
REMARK 465     ASP A   240                                                      
REMARK 465     GLY A   241                                                      
REMARK 465     SER A   242                                                      
REMARK 465     SER A   243                                                      
REMARK 465     THR A   244                                                      
REMARK 465     GLY A   245                                                      
REMARK 465     SER A   246                                                      
REMARK 465     LEU A   247                                                      
REMARK 465     PRO A   248                                                      
REMARK 465     PRO A   249                                                      
REMARK 465     THR A   250                                                      
REMARK 465     ASN A   251                                                      
REMARK 465     THR A   252                                                      
REMARK 465     ASN A   253                                                      
REMARK 465     VAL A   254                                                      
REMARK 465     ASN A   255                                                      
REMARK 465     THR A   256                                                      
REMARK 465     SER A   257                                                      
REMARK 465     THR A   258                                                      
REMARK 465     SER A   259                                                      
REMARK 465     GLU A   260                                                      
REMARK 465     GLY A   261                                                      
REMARK 465     ALA A   262                                                      
REMARK 465     THR A   263                                                      
REMARK 465     SER A   264                                                      
REMARK 465     GLY A   265                                                      
REMARK 465     LEU A   266                                                      
REMARK 465     ILE A   267                                                      
REMARK 465     ILE A   268                                                      
REMARK 465     PRO A   269                                                      
REMARK 465     LEU A   270                                                      
REMARK 465     THR A   271                                                      
REMARK 465     ILE A   272                                                      
REMARK 465     SER A   273                                                      
REMARK 465     GLY A   274                                                      
REMARK 465     GLY A   275                                                      
REMARK 465     SER A   276                                                      
REMARK 465     GLY A   277                                                      
REMARK 465     PRO A   278                                                      
REMARK 465     ARG A   279                                                      
REMARK 465     PRO A   280                                                      
REMARK 465     LEU A   281                                                      
REMARK 465     ASN A   282                                                      
REMARK 465     THR A   283                                                      
REMARK 465     VAL A   284                                                      
REMARK 465     SER A   285                                                      
REMARK 465     GLN A   286                                                      
REMARK 465     GLY A   382                                                      
REMARK 465     ASN A   383                                                      
REMARK 465     GLN A   384                                                      
REMARK 465     ASP A   385                                                      
REMARK 465     LEU A   386                                                      
REMARK 465     PHE A   387                                                      
REMARK 465     ALA A   388                                                      
REMARK 465     THR A   389                                                      
REMARK 465     SER A   390                                                      
REMARK 465     GLN A   391                                                      
REMARK 465     ASN A   392                                                      
REMARK 465     LYS A   393                                                      
REMARK 465     GLU A   394                                                      
REMARK 465     PHE A   395                                                      
REMARK 465     ASP A   396                                                      
REMARK 465     PRO A   397                                                      
REMARK 465     LEU A   398                                                      
REMARK 465     GLY A   399                                                      
REMARK 465     PRO A   400                                                      
REMARK 465     LEU A   401                                                      
REMARK 465     PRO A   402                                                      
REMARK 465     PRO A   403                                                      
REMARK 465     GLY A   404                                                      
REMARK 465     TRP A   405                                                      
REMARK 465     GLU A   406                                                      
REMARK 465     LYS A   407                                                      
REMARK 465     ARG A   408                                                      
REMARK 465     THR A   409                                                      
REMARK 465     ASP A   410                                                      
REMARK 465     SER A   411                                                      
REMARK 465     ASN A   412                                                      
REMARK 465     GLY A   413                                                      
REMARK 465     ARG A   414                                                      
REMARK 465     VAL A   415                                                      
REMARK 465     TYR A   416                                                      
REMARK 465     PHE A   417                                                      
REMARK 465     VAL A   418                                                      
REMARK 465     ASN A   419                                                      
REMARK 465     HIS A   420                                                      
REMARK 465     ASN A   421                                                      
REMARK 465     THR A   422                                                      
REMARK 465     ARG A   423                                                      
REMARK 465     ILE A   424                                                      
REMARK 465     THR A   425                                                      
REMARK 465     GLN A   426                                                      
REMARK 465     TRP A   427                                                      
REMARK 465     GLU A   428                                                      
REMARK 465     ASP A   429                                                      
REMARK 465     PRO A   430                                                      
REMARK 465     ARG A   431                                                      
REMARK 465     SER A   432                                                      
REMARK 465     GLN A   433                                                      
REMARK 465     GLY A   434                                                      
REMARK 465     GLN A   435                                                      
REMARK 465     LEU A   436                                                      
REMARK 465     ASN A   437                                                      
REMARK 465     GLU A   438                                                      
REMARK 465     LYS A   439                                                      
REMARK 465     PRO A   440                                                      
REMARK 465     LEU A   441                                                      
REMARK 465     PRO A   442                                                      
REMARK 465     GLU A   443                                                      
REMARK 465     GLY A   444                                                      
REMARK 465     TRP A   445                                                      
REMARK 465     GLU A   446                                                      
REMARK 465     MET A   447                                                      
REMARK 465     ARG A   448                                                      
REMARK 465     PHE A   449                                                      
REMARK 465     THR A   450                                                      
REMARK 465     VAL A   451                                                      
REMARK 465     ASP A   452                                                      
REMARK 465     GLY A   453                                                      
REMARK 465     ILE A   454                                                      
REMARK 465     PRO A   455                                                      
REMARK 465     TYR A   456                                                      
REMARK 465     PHE A   457                                                      
REMARK 465     VAL A   458                                                      
REMARK 465     ASP A   459                                                      
REMARK 465     HIS A   460                                                      
REMARK 465     ASN A   461                                                      
REMARK 465     ARG A   462                                                      
REMARK 465     ARG A   463                                                      
REMARK 465     ALA A   464                                                      
REMARK 465     THR A   465                                                      
REMARK 465     THR A   466                                                      
REMARK 465     TYR A   467                                                      
REMARK 465     ILE A   468                                                      
REMARK 465     ASP A   469                                                      
REMARK 465     PRO A   470                                                      
REMARK 465     ARG A   471                                                      
REMARK 465     THR A   472                                                      
REMARK 465     GLY A   473                                                      
REMARK 465     LYS A   474                                                      
REMARK 465     SER A   475                                                      
REMARK 465     ALA A   476                                                      
REMARK 465     LEU A   477                                                      
REMARK 465     ASP A   478                                                      
REMARK 465     ASN A   479                                                      
REMARK 465     GLY A   480                                                      
REMARK 465     PRO A   481                                                      
REMARK 465     GLN A   482                                                      
REMARK 465     ILE A   483                                                      
REMARK 465     GLY A   544                                                      
REMARK 465     GLU A   545                                                      
REMARK 465     GLU A   546                                                      
REMARK 465     GLY A   547                                                      
REMARK 465     LEU A   548                                                      
REMARK 465     GLY A   577                                                      
REMARK 465     LYS A   578                                                      
REMARK 465     LYS A   653                                                      
REMARK 465     GLU A   654                                                      
REMARK 465     ASN A   655                                                      
REMARK 465     ASN A   656                                                      
REMARK 465     ILE A   657                                                      
REMARK 465     GLU A   658                                                      
REMARK 465     GLU A   659                                                      
REMARK 465     CYS A   660                                                      
REMARK 465     GLY A   661                                                      
REMARK 465     LEU A   662                                                      
REMARK 465     GLU A   663                                                      
REMARK 465     MET A   664                                                      
REMARK 465     TYR A   665                                                      
REMARK 465     PHE A   666                                                      
REMARK 465     SER A   667                                                      
REMARK 465     VAL A   668                                                      
REMARK 465     ASP A   669                                                      
REMARK 465     LYS A   670                                                      
REMARK 465     GLU A   671                                                      
REMARK 465     ILE A   672                                                      
REMARK 465     LEU A   673                                                      
REMARK 465     GLY A   674                                                      
REMARK 465     GLU A   675                                                      
REMARK 465     ILE A   676                                                      
REMARK 465     LYS A   677                                                      
REMARK 465     SER A   678                                                      
REMARK 465     HIS A   679                                                      
REMARK 465     ASP A   680                                                      
REMARK 465     LEU A   681                                                      
REMARK 465     LYS A   682                                                      
REMARK 465     PRO A   683                                                      
REMARK 465     ASN A   684                                                      
REMARK 465     GLY A   685                                                      
REMARK 465     GLY A   686                                                      
REMARK 465     ASN A   687                                                      
REMARK 465     ILE A   688                                                      
REMARK 465     LEU A   689                                                      
REMARK 465     VAL A   690                                                      
REMARK 465     THR A   691                                                      
REMARK 465     GLU A   692                                                      
REMARK 465     GLU A   693                                                      
REMARK 465     ASN A   694                                                      
REMARK 465     LYS A   695                                                      
REMARK 465     GLU A   696                                                      
REMARK 465     GLU A   697                                                      
REMARK 465     TYR A   698                                                      
REMARK 465     ILE A   699                                                      
REMARK 465     ARG A   700                                                      
REMARK 465     MET A   701                                                      
REMARK 465     VAL A   702                                                      
REMARK 465     ALA A   703                                                      
REMARK 465     GLU A   704                                                      
REMARK 465     ARG A   761                                                      
REMARK 465     SER A   767                                                      
REMARK 465     LYS A   768                                                      
REMARK 465     GLY A   860                                                      
REMARK 465     PHE A   861                                                      
REMARK 465     GLY A   862                                                      
REMARK 465     GLN A   863                                                      
REMARK 465     GLU A   864                                                      
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     VAL A 297    CG1  CG2                                            
REMARK 470     ARG A 302    NE   CZ   NH1  NH2                                  
REMARK 470     ARG A 328    CZ   NH1  NH2                                       
REMARK 470     ASN A 331    CG   OD1  ND2                                       
REMARK 470     MET A 332    CG   SD   CE                                        
REMARK 470     ARG A 343    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LEU A 352    CD1  CD2                                            
REMARK 470     GLU A 353    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 356    CZ   NH1  NH2                                       
REMARK 470     GLN A 360    OE1  NE2                                            
REMARK 470     GLN A 373    CG   CD   OE1  NE2                                  
REMARK 470     VAL A 486    CG1  CG2                                            
REMARK 470     LYS A 490    NZ                                                  
REMARK 470     GLN A 501    CG   CD   OE1  NE2                                  
REMARK 470     MET A 505    CE                                                  
REMARK 470     GLN A 507    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 510    CG   CD   CE   NZ                                   
REMARK 470     LYS A 516    CG   CD   CE   NZ                                   
REMARK 470     LEU A 518    CD1  CD2                                            
REMARK 470     ARG A 537    CD   NE   CZ   NH1  NH2                             
REMARK 470     TRP A 539    CE3  CZ2  CZ3  CH2                                  
REMARK 470     ASP A 549    CG   OD1  OD2                                       
REMARK 470     ASP A 579    CG   OD1  OD2                                       
REMARK 470     ASN A 580    OD1  ND2                                            
REMARK 470     ILE A 591    CD1                                                 
REMARK 470     LYS A 626    NZ                                                  
REMARK 470     VAL A 633    CG1  CG2                                            
REMARK 470     LEU A 635    CG   CD1  CD2                                       
REMARK 470     LYS A 636    CG   CD   CE   NZ                                   
REMARK 470     LEU A 638    CD1  CD2                                            
REMARK 470     SER A 640    OG                                                  
REMARK 470     ILE A 641    CD1                                                 
REMARK 470     ASP A 642    CG   OD1  OD2                                       
REMARK 470     GLU A 644    CG   CD   OE1  OE2                                  
REMARK 470     PHE A 645    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     ASN A 647    CG   OD1  ND2                                       
REMARK 470     SER A 648    OG                                                  
REMARK 470     LEU A 649    CG   CD1  CD2                                       
REMARK 470     ILE A 650    CG1  CG2  CD1                                       
REMARK 470     TRP A 651    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP A 651    CZ3  CH2                                            
REMARK 470     VAL A 652    CG1  CG2                                            
REMARK 470     TRP A 705    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP A 705    CZ3  CH2                                            
REMARK 470     ARG A 706    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 709    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 712    CG   CD   OE1  OE2                                  
REMARK 470     LEU A 751    CG   CD1  CD2                                       
REMARK 470     ASN A 752    CG   OD1  ND2                                       
REMARK 470     GLN A 755    OE1                                                 
REMARK 470     ARG A 756    NE   CZ   NH1  NH2                                  
REMARK 470     ILE A 759    CD1                                                 
REMARK 470     HIS A 762    CG   ND1  CD2  CE1  NE2                             
REMARK 470     TYR A 763    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     THR A 764    OG1  CG2                                            
REMARK 470     ARG A 765    CD   NE   CZ   NH1  NH2                             
REMARK 470     THR A 766    OG1  CG2                                            
REMARK 470     ILE A 770    CG1  CG2  CD1                                       
REMARK 470     MET A 771    CE                                                  
REMARK 470     GLN A 775    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 778    CG   CD   CE   NZ                                   
REMARK 470     GLN A 813    CD   OE1  NE2                                       
REMARK 470     LYS A 814    CD   CE   NZ                                        
REMARK 470     LYS A 819    CG   CD   CE   NZ                                   
REMARK 470     LYS A 822    CG   CD   CE   NZ                                   
REMARK 470     TRP A 825    CE3  CZ2  CZ3  CH2                                  
REMARK 470     ARG A 828    CD   NE   CZ   NH1  NH2                             
REMARK 470     LYS A 842    CG   CD   CE   NZ                                   
REMARK 470     SER A 843    OG                                                  
REMARK 470     GLU A 845    CG   CD   OE1  OE2                                  
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    LYS A 311       62.38     65.29                                   
REMARK 500    LYS A 311       61.48     65.29                                   
REMARK 500    HIS A 340       37.07    -89.12                                   
REMARK 500    PHE A 341      -36.36   -139.59                                   
REMARK 500    ILE A 380      -86.46   -128.91                                   
REMARK 500    ILE A 641      -75.24    -86.96                                   
REMARK 500    ASN A 810       48.84   -146.55                                   
REMARK 500    VAL A 820      138.78   -172.36                                   
REMARK 500    PRO A 840       89.01    -64.61                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  5XMC A  143   864  UNP    Q8C863   ITCH_MOUSE     143    864             
SEQRES   1 A  722  GLN VAL GLU ALA GLU VAL VAL THR ASN GLY GLU THR SER          
SEQRES   2 A  722  CYS SER GLU SER THR THR GLN ASN ASP ASP GLY CYS ARG          
SEQRES   3 A  722  THR ARG ASP ASP THR ARG VAL SER THR ASN GLY SER GLU          
SEQRES   4 A  722  ASP PRO GLU VAL ALA ALA SER GLY GLU ASN LYS ARG ALA          
SEQRES   5 A  722  ASN GLY ASN ASN SER PRO SER LEU SER ASN GLY GLY PHE          
SEQRES   6 A  722  LYS PRO SER ARG PRO PRO ARG PRO SER ARG PRO PRO PRO          
SEQRES   7 A  722  PRO THR PRO ARG ARG PRO ALA SER VAL ASN GLY SER PRO          
SEQRES   8 A  722  SER THR ASN SER ASP SER ASP GLY SER SER THR GLY SER          
SEQRES   9 A  722  LEU PRO PRO THR ASN THR ASN VAL ASN THR SER THR SER          
SEQRES  10 A  722  GLU GLY ALA THR SER GLY LEU ILE ILE PRO LEU THR ILE          
SEQRES  11 A  722  SER GLY GLY SER GLY PRO ARG PRO LEU ASN THR VAL SER          
SEQRES  12 A  722  GLN ALA PRO LEU PRO PRO GLY TRP GLU GLN ARG VAL ASP          
SEQRES  13 A  722  GLN HIS GLY ARG VAL TYR TYR VAL ASP HIS VAL GLU LYS          
SEQRES  14 A  722  ARG THR THR TRP ASP ARG PRO GLU PRO LEU PRO PRO GLY          
SEQRES  15 A  722  TRP GLU ARG ARG VAL ASP ASN MET GLY ARG ILE TYR TYR          
SEQRES  16 A  722  VAL ASP HIS PHE THR ARG THR THR THR TRP GLN ARG PRO          
SEQRES  17 A  722  THR LEU GLU SER VAL ARG ASN TYR GLU GLN TRP GLN LEU          
SEQRES  18 A  722  GLN ARG SER GLN LEU GLN GLY ALA MET GLN GLN PHE ASN          
SEQRES  19 A  722  GLN ARG PHE ILE TYR GLY ASN GLN ASP LEU PHE ALA THR          
SEQRES  20 A  722  SER GLN ASN LYS GLU PHE ASP PRO LEU GLY PRO LEU PRO          
SEQRES  21 A  722  PRO GLY TRP GLU LYS ARG THR ASP SER ASN GLY ARG VAL          
SEQRES  22 A  722  TYR PHE VAL ASN HIS ASN THR ARG ILE THR GLN TRP GLU          
SEQRES  23 A  722  ASP PRO ARG SER GLN GLY GLN LEU ASN GLU LYS PRO LEU          
SEQRES  24 A  722  PRO GLU GLY TRP GLU MET ARG PHE THR VAL ASP GLY ILE          
SEQRES  25 A  722  PRO TYR PHE VAL ASP HIS ASN ARG ARG ALA THR THR TYR          
SEQRES  26 A  722  ILE ASP PRO ARG THR GLY LYS SER ALA LEU ASP ASN GLY          
SEQRES  27 A  722  PRO GLN ILE ALA TYR VAL ARG ASP PHE LYS ALA LYS VAL          
SEQRES  28 A  722  GLN TYR PHE ARG PHE TRP CYS GLN GLN LEU ALA MET PRO          
SEQRES  29 A  722  GLN HIS ILE LYS ILE THR VAL THR ARG LYS THR LEU PHE          
SEQRES  30 A  722  GLU ASP SER PHE GLN GLN ILE MET SER PHE SER PRO GLN          
SEQRES  31 A  722  ASP LEU ARG ARG ARG LEU TRP VAL ILE PHE PRO GLY GLU          
SEQRES  32 A  722  GLU GLY LEU ASP TYR GLY GLY VAL ALA ARG GLU TRP PHE          
SEQRES  33 A  722  PHE LEU LEU SER HIS GLU VAL LEU ASN PRO MET TYR CYS          
SEQRES  34 A  722  LEU PHE GLU TYR ALA GLY LYS ASP ASN TYR CYS LEU GLN          
SEQRES  35 A  722  ILE ASN PRO ALA SER TYR ILE ASN PRO ASP HIS LEU LYS          
SEQRES  36 A  722  TYR PHE ARG PHE ILE GLY ARG PHE ILE ALA MET ALA LEU          
SEQRES  37 A  722  PHE HIS GLY LYS PHE ILE ASP THR GLY PHE SER LEU PRO          
SEQRES  38 A  722  PHE TYR LYS ARG ILE LEU ASN LYS PRO VAL GLY LEU LYS          
SEQRES  39 A  722  ASP LEU GLU SER ILE ASP PRO GLU PHE TYR ASN SER LEU          
SEQRES  40 A  722  ILE TRP VAL LYS GLU ASN ASN ILE GLU GLU CYS GLY LEU          
SEQRES  41 A  722  GLU MET TYR PHE SER VAL ASP LYS GLU ILE LEU GLY GLU          
SEQRES  42 A  722  ILE LYS SER HIS ASP LEU LYS PRO ASN GLY GLY ASN ILE          
SEQRES  43 A  722  LEU VAL THR GLU GLU ASN LYS GLU GLU TYR ILE ARG MET          
SEQRES  44 A  722  VAL ALA GLU TRP ARG LEU SER ARG GLY VAL GLU GLU GLN          
SEQRES  45 A  722  THR GLN ALA PHE PHE GLU GLY PHE ASN GLU ILE LEU PRO          
SEQRES  46 A  722  GLN GLN TYR LEU GLN TYR PHE ASP ALA LYS GLU LEU GLU          
SEQRES  47 A  722  VAL LEU LEU CYS GLY MET GLN GLU ILE ASP LEU ASN ASP          
SEQRES  48 A  722  TRP GLN ARG HIS ALA ILE TYR ARG HIS TYR THR ARG THR          
SEQRES  49 A  722  SER LYS GLN ILE MET TRP PHE TRP GLN PHE VAL LYS GLU          
SEQRES  50 A  722  ILE ASP ASN GLU LYS ARG MET ARG LEU LEU GLN PHE VAL          
SEQRES  51 A  722  THR GLY THR CYS ARG LEU PRO VAL GLY GLY PHE ALA ASP          
SEQRES  52 A  722  LEU MET GLY SER ASN GLY PRO GLN LYS PHE CYS ILE GLU          
SEQRES  53 A  722  LYS VAL GLY LYS GLU ASN TRP LEU PRO ARG SER HIS THR          
SEQRES  54 A  722  CYS PHE ASN ARG LEU ASP LEU PRO PRO TYR LYS SER TYR          
SEQRES  55 A  722  GLU GLN LEU LYS GLU LYS LEU LEU PHE ALA ILE GLU GLU          
SEQRES  56 A  722  THR GLU GLY PHE GLY GLN GLU                                  
FORMUL   2  HOH   *46(H2 O)                                                     
HELIX    1 AA1 THR A  351  ALA A  371  1                                  21    
HELIX    2 AA2 ALA A  371  ASN A  376  1                                   6    
HELIX    3 AA3 ASP A  488  ALA A  504  1                                  17    
HELIX    4 AA4 THR A  517  PHE A  529  1                                  13    
HELIX    5 AA5 SER A  530  ARG A  535  1                                   6    
HELIX    6 AA6 TYR A  550  VAL A  565  1                                  16    
HELIX    7 AA7 LEU A  566  CYS A  571  5                                   6    
HELIX    8 AA8 PRO A  587  ASN A  592  5                                   6    
HELIX    9 AA9 ASP A  594  GLY A  613  1                                  20    
HELIX   10 AB1 SER A  621  LEU A  629  1                                   9    
HELIX   11 AB2 GLY A  634  ASP A  642  1                                   9    
HELIX   12 AB3 ASP A  642  ILE A  650  1                                   9    
HELIX   13 AB4 VAL A  711  LEU A  726  1                                  16    
HELIX   14 AB5 PRO A  727  GLN A  732  5                                   6    
HELIX   15 AB6 ASP A  735  GLY A  745  1                                  11    
HELIX   16 AB7 ASP A  750  HIS A  757  1                                   8    
HELIX   17 AB8 ILE A  770  ILE A  780  1                                  11    
HELIX   18 AB9 ASP A  781  GLY A  794  1                                  14    
HELIX   19 AC1 GLY A  802  ASP A  805  5                                   4    
HELIX   20 AC2 THR A  831  PHE A  833  5                                   3    
HELIX   21 AC3 SER A  843  GLU A  857  1                                  15    
SHEET    1 AA1 3 TRP A 293  VAL A 297  0                                        
SHEET    2 AA1 3 VAL A 303  ASP A 307 -1  O  TYR A 304   N  ARG A 296           
SHEET    3 AA1 3 ARG A 312  THR A 314 -1  O  ARG A 312   N  ASP A 307           
SHEET    1 AA2 3 TRP A 325  VAL A 329  0                                        
SHEET    2 AA2 3 ILE A 335  ASP A 339 -1  O  TYR A 336   N  ARG A 328           
SHEET    3 AA2 3 THR A 345  THR A 346 -1  O  THR A 346   N  TYR A 337           
SHEET    1 AA3 2 MET A 505  THR A 512  0                                        
SHEET    2 AA3 2 ARG A 536  ILE A 541  1  O  ARG A 537   N  ILE A 509           
SHEET    1 AA4 2 PHE A 573  TYR A 575  0                                        
SHEET    2 AA4 2 LEU A 583  ILE A 585 -1  O  GLN A 584   N  GLU A 574           
SHEET    1 AA5 4 ALA A 758  ILE A 759  0                                        
SHEET    2 AA5 4 PHE A 815  LYS A 819  1  O  PHE A 815   N  ILE A 759           
SHEET    3 AA5 4 ARG A 835  LEU A 838  1  O  LEU A 836   N  CYS A 816           
SHEET    4 AA5 4 ARG A 828  HIS A 830 -1  N  ARG A 828   O  ASP A 837           
SHEET    1 AA6 2 MET A 807  GLY A 808  0                                        
SHEET    2 AA6 2 GLY A 811  PRO A 812 -1  O  GLY A 811   N  GLY A 808           
CISPEP   1 GLN A  507    HIS A  508          0        -1.05                     
CRYST1   69.586   77.084  130.475  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      0.014371  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.012973  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007664        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system