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Database: PDB
Entry: 4KEI
LinkDB: 4KEI
Original site: 4KEI 
HEADER    METAL TRANSPORT                         25-APR-13   4KEI              
TITLE     CRYSTAL STRUCTURE OF MOUSE RYANODINE RECEPTOR 2 (1-217) DISEASE MUTANT
TITLE    2 P164S                                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RYANODINE RECEPTOR 2;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: N-TERMINAL DOMAIN (UNP RESIDUES 1-217);                    
COMPND   5 SYNONYM: RYR-2, RYR2, CARDIAC MUSCLE RYANODINE RECEPTOR, CARDIAC     
COMPND   6 MUSCLE RYANODINE RECEPTOR-CALCIUM RELEASE CHANNEL, TYPE 2 RYANODINE  
COMPND   7 RECEPTOR, CARDIAC CA2+ RELEASE CHANNEL;                              
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: RYR2;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSETTA                                    
KEYWDS    CA2+ RELEASE, ION CHANNEL, ER/SR MEMBRANE, METAL TRANSPORT            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    L.KIMLICKA,F.VAN PETEGEM                                              
REVDAT   3   23-OCT-13 4KEI    1       JRNL                                     
REVDAT   2   11-SEP-13 4KEI    1       JRNL                                     
REVDAT   1   04-SEP-13 4KEI    0                                                
JRNL        AUTH   F.J.AMADOR,L.KIMLICKA,P.B.STATHOPULOS,G.M.GASMI-SEABROOK,    
JRNL        AUTH 2 D.H.MACLENNAN,F.VAN PETEGEM,M.IKURA                          
JRNL        TITL   TYPE 2 RYANODINE RECEPTOR DOMAIN A CONTAINS A UNIQUE AND     
JRNL        TITL 2 DYNAMIC ALPHA-HELIX THAT TRANSITIONS TO A BETA-STRAND IN A   
JRNL        TITL 3 MUTANT LINKED WITH A HERITABLE CARDIOMYOPATHY.               
JRNL        REF    J.MOL.BIOL.                   V. 425  4034 2013              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   23978697                                                     
JRNL        DOI    10.1016/J.JMB.2013.08.015                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.41 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6_289)                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.41                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 35.34                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.110                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 94.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 8805                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.244                           
REMARK   3   R VALUE            (WORKING SET) : 0.242                           
REMARK   3   FREE R VALUE                     : 0.273                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.690                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 413                             
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 35.3407 -  3.4693    0.99     2973   141  0.2292 0.2580        
REMARK   3     2  3.4693 -  2.7540    0.97     2863   144  0.2508 0.2980        
REMARK   3     3  2.7540 -  2.4060    0.88     2556   128  0.3038 0.3036        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : 0.37                                          
REMARK   3   B_SOL              : 62.06                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.260            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.480           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.10980                                              
REMARK   3    B22 (A**2) : 1.10980                                              
REMARK   3    B33 (A**2) : -2.21970                                             
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  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      :  0.002           1279                                  
REMARK   3   ANGLE     :  0.554           1749                                  
REMARK   3   CHIRALITY :  0.037            218                                  
REMARK   3   PLANARITY :  0.002            217                                  
REMARK   3   DIHEDRAL  : 13.078            402                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
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 4KEI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-APR-13.                  
REMARK 100 THE RCSB ID CODE IS RCSB079237.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 01-DEC-09                          
REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
REMARK 200  PH                             : 4.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : CLSI                               
REMARK 200  BEAMLINE                       : 08ID-1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97949                            
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL SI(111)             
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 225 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9226                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.400                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.4                               
REMARK 200  DATA REDUNDANCY                : 7.000                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 45.2400                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.49                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <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: PDB ENTRY 3IM7                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 49.67                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.44                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M SODIUM MALONATE, 5-15% SATURATED   
REMARK 280  AMMONIUM SULFATE, PH 4.5, VAPOR DIFFUSION, HANGING DROP,            
REMARK 280  TEMPERATURE 294.0K                                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 41                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       3555   -Y,X+1/2,Z+1/4                                          
REMARK 290       4555   Y+1/2,-X,Z+3/4                                          
REMARK 290       5555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290       6555   -X,-Y,Z                                                 
REMARK 290       7555   -Y+1/2,X,Z+3/4                                          
REMARK 290       8555   Y,-X+1/2,Z+1/4                                          
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       55.87250            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000       55.87250            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       18.91050            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       55.87250            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        9.45525            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       55.87250            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       28.36575            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       55.87250            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       55.87250            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       18.91050            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000 -1.000000  0.000000       55.87250            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000  1.000000       28.36575            
REMARK 290   SMTRY1   8  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000       55.87250            
REMARK 290   SMTRY3   8  0.000000  0.000000  1.000000        9.45525            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     ASP A     3                                                      
REMARK 465     ALA A     4                                                      
REMARK 465     GLY A     5                                                      
REMARK 465     GLU A     6                                                      
REMARK 465     GLY A     7                                                      
REMARK 465     GLU A     8                                                      
REMARK 465     ASP A     9                                                      
REMARK 465     GLU A    10                                                      
REMARK 465     ILE A    11                                                      
REMARK 465     ASN A    54                                                      
REMARK 465     SER A    55                                                      
REMARK 465     LYS A    56                                                      
REMARK 465     GLU A    87                                                      
REMARK 465     LYS A    88                                                      
REMARK 465     SER A    89                                                      
REMARK 465     GLU A    90                                                      
REMARK 465     GLY A    91                                                      
REMARK 465     GLN A    92                                                      
REMARK 465     VAL A    93                                                      
REMARK 465     ASP A    94                                                      
REMARK 465     VAL A    95                                                      
REMARK 465     GLU A    96                                                      
REMARK 465     LYS A    97                                                      
REMARK 465     TRP A    98                                                      
REMARK 465     LYS A    99                                                      
REMARK 465     PHE A   100                                                      
REMARK 465     MET A   101                                                      
REMARK 465     MET A   102                                                      
REMARK 465     LYS A   103                                                      
REMARK 465     THR A   104                                                      
REMARK 465     ALA A   105                                                      
REMARK 465     GLN A   106                                                      
REMARK 465     GLY A   107                                                      
REMARK 465     GLY A   108                                                      
REMARK 465     GLY A   109                                                      
REMARK 465     SER A   138                                                      
REMARK 465     SER A   139                                                      
REMARK 465     THR A   140                                                      
REMARK 465     ASP A   141                                                      
REMARK 465     LYS A   167                                                      
REMARK 465     GLN A   168                                                      
REMARK 465     ARG A   169                                                      
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     GLN A  12    CG   CD   OE1  NE2                                  
REMARK 470     ARG A  15    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP A  17    CG   OD1  OD2                                       
REMARK 470     GLU A  19    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  30    CG   CD   CE   NZ                                   
REMARK 470     GLU A  31    CG   CD   OE1  OE2                                  
REMARK 470     GLU A  40    CG   CD   OE1  OE2                                  
REMARK 470     PHE A  42    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     ARG A  45    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN A  57    CG   OD1  ND2                                       
REMARK 470     ARG A  76    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 111    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 122    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     TYR A 125    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     ARG A 137    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 142    CG   CD   CE   NZ                                   
REMARK 470     LEU A 143    CG   CD1  CD2                                       
REMARK 470     GLU A 173    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 174    CG   CD   CE   NZ                                   
REMARK 470     ARG A 176    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP A 180    CG   OD1  OD2                                       
REMARK 470     GLU A 189    CG   CD   OE1  OE2                                  
REMARK 470     ILE A 217    CG1  CG2  CD1                                       
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3IM5   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF MOUSE RYANODINE RECEPTOR 2 (RESIDUES            
REMARK 900 1-217) WILD TYPE                                                     
REMARK 900 RELATED ID: 3IM6   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF MOUSE RYANODINE RECEPTOR 2 (RESIDUES            
REMARK 900 1-217) DISEASE MUTANT V186M                                          
REMARK 900 RELATED ID: 3IM7   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF MOUSE RYANODINE RECEPTOR 2 (RESIDUES            
REMARK 900 1-217) DISEASE MUTANT A77V                                           
REMARK 900 RELATED ID: 3QR5   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF MOUSE RYANODINE RECEPTOR 2 (RESIDUES            
REMARK 900 1-217) DISEASE MUTANT EXON 3 DELETION                                
REMARK 900 RELATED ID: 4KEJ   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4KEK   RELATED DB: PDB                                   
DBREF  4KEI A    1   217  UNP    E9Q401   RYR2_MOUSE       1    217             
SEQADV 4KEI SER A  164  UNP  E9Q401    PRO   164 ENGINEERED MUTATION            
SEQRES   1 A  217  MET ALA ASP ALA GLY GLU GLY GLU ASP GLU ILE GLN PHE          
SEQRES   2 A  217  LEU ARG THR ASP ASP GLU VAL VAL LEU GLN CYS THR ALA          
SEQRES   3 A  217  THR ILE HIS LYS GLU GLN GLN LYS LEU CYS LEU ALA ALA          
SEQRES   4 A  217  GLU GLY PHE GLY ASN ARG LEU CYS PHE LEU GLU SER THR          
SEQRES   5 A  217  SER ASN SER LYS ASN VAL PRO PRO ASP LEU SER ILE CYS          
SEQRES   6 A  217  THR PHE VAL LEU GLU GLN SER LEU SER VAL ARG ALA LEU          
SEQRES   7 A  217  GLN GLU MET LEU ALA ASN THR VAL GLU LYS SER GLU GLY          
SEQRES   8 A  217  GLN VAL ASP VAL GLU LYS TRP LYS PHE MET MET LYS THR          
SEQRES   9 A  217  ALA GLN GLY GLY GLY HIS ARG THR LEU LEU TYR GLY HIS          
SEQRES  10 A  217  ALA ILE LEU LEU ARG HIS SER TYR SER GLY MET TYR LEU          
SEQRES  11 A  217  CYS CYS LEU SER THR SER ARG SER SER THR ASP LYS LEU          
SEQRES  12 A  217  ALA PHE ASP VAL GLY LEU GLN GLU ASP THR THR GLY GLU          
SEQRES  13 A  217  ALA CYS TRP TRP THR ILE HIS SER ALA SER LYS GLN ARG          
SEQRES  14 A  217  SER GLU GLY GLU LYS VAL ARG VAL GLY ASP ASP LEU ILE          
SEQRES  15 A  217  LEU VAL SER VAL SER SER GLU ARG TYR LEU HIS LEU SER          
SEQRES  16 A  217  TYR GLY ASN SER SER TRP HIS VAL ASP ALA ALA PHE GLN          
SEQRES  17 A  217  GLN THR LEU TRP SER VAL ALA PRO ILE                          
FORMUL   2  HOH   *15(H2 O)                                                     
HELIX    1   1 LEU A   62  CYS A   65  5                                   4    
HELIX    2   2 SER A   74  ASN A   84  1                                  11    
SHEET    1   A 9 CYS A  47  SER A  51  0                                        
SHEET    2   A 9 GLU A  31  ALA A  39 -1  N  ALA A  38   O  PHE A  48           
SHEET    3   A 9 GLU A  19  ILE A  28 -1  N  ALA A  26   O  GLN A  33           
SHEET    4   A 9 TRP A 212  PRO A 216 -1  O  SER A 213   N  GLN A  23           
SHEET    5   A 9 ASP A 180  SER A 185 -1  N  LEU A 181   O  TRP A 212           
SHEET    6   A 9 TRP A 160  SER A 164 -1  N  HIS A 163   O  ILE A 182           
SHEET    7   A 9 ALA A 118  HIS A 123 -1  N  ILE A 119   O  TRP A 160           
SHEET    8   A 9 PHE A  67  LEU A  73 -1  N  LEU A  73   O  ALA A 118           
SHEET    9   A 9 GLU A  19  ILE A  28 -1  N  VAL A  20   O  PHE A  67           
SHEET    1   B 4 TYR A 129  SER A 136  0                                        
SHEET    2   B 4 PHE A 145  GLN A 150 -1  O  GLN A 150   N  TYR A 129           
SHEET    3   B 4 TRP A 201  ALA A 206 -1  O  ALA A 205   N  PHE A 145           
SHEET    4   B 4 TYR A 191  TYR A 196 -1  N  HIS A 193   O  ASP A 204           
CRYST1  111.745  111.745   37.821  90.00  90.00  90.00 I 41          8          
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      0.008949  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.008949  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.026440        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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