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Database: PDB
Entry: 6CDT
LinkDB: 6CDT
Original site: 6CDT 
HEADER    TRANSFERASE                             09-FEB-18   6CDT              
TITLE     STRUCTURE OF HUMAN ANAPLASTIC LYMPHOMA KINASE DOMAIN                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ALK TYROSINE KINASE RECEPTOR;                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: ANAPLASTIC LYMPHOMA KINASE;                                 
COMPND   5 EC: 2.7.10.1;                                                        
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: ALK;                                                           
SOURCE   6 EXPRESSION_SYSTEM: SPODOPTERA AFF. FRUGIPERDA 2 RZ-2014;             
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 1491790;                                    
SOURCE   8 EXPRESSION_SYSTEM_CELL_LINE: SF9;                                    
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PFASTBAC1                             
KEYWDS    KINASE, TRANSFERASE                                                   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.MCTIGUE,Y.L.DENG,W.LIU,A.BROOUN                                     
REVDAT   2   27-FEB-19 6CDT    1       JRNL                                     
REVDAT   1   20-FEB-19 6CDT    0                                                
JRNL        AUTH   T.W.JOHNSON,B.BOLANOS,A.BROOUN,R.A.GALLEGO,D.GEHLHAAR,       
JRNL        AUTH 2 M.JALAIE,M.MCTIGUE,S.TIMOFEEVSKI                             
JRNL        TITL   REVIVING B-FACTORS: ACTIVATING ALK MUTATIONS INCREASE        
JRNL        TITL 2 PROTEIN DYNAMICS OF THE UNPHOSPHORYLATED KINASE.             
JRNL        REF    ACS MED CHEM LETT             V.   9   872 2018              
JRNL        REFN                   ISSN 1948-5875                               
JRNL        PMID   30258533                                                     
JRNL        DOI    10.1021/ACSMEDCHEMLETT.8B00348                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNX 2005                                             
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN,ACCELRYS                   
REMARK   3               : SOFTWARE INC.(BADGER,BERARD,KUMAR,SZALMA,            
REMARK   3               : YIP,DZAKULA)                                         
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.20                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 109585.250                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 29196                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : FREE R-VALUE                    
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM SELECTION                
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.196                           
REMARK   3   R VALUE            (WORKING SET) : 0.194                           
REMARK   3   FREE R VALUE                     : 0.226                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.500                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1356                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.010                           
REMARK   3                                                                      
REMARK   3  FIT/AGREEMENT OF MODEL WITH ALL DATA.                               
REMARK   3   R VALUE     (WORKING + TEST SET, NO CUTOFF) : NULL                 
REMARK   3   R VALUE            (WORKING SET, NO CUTOFF) : NULL                 
REMARK   3   FREE R VALUE                    (NO CUTOFF) : NULL                 
REMARK   3   FREE R VALUE TEST SET SIZE   (%, NO CUTOFF) : NULL                 
REMARK   3   FREE R VALUE TEST SET COUNT     (NO CUTOFF) : NULL                 
REMARK   3   ESTIMATED ERROR OF FREE R VALUE (NO CUTOFF) : NULL                 
REMARK   3   TOTAL NUMBER OF REFLECTIONS     (NO CUTOFF) : NULL                 
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2299                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 276                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 28.70                          
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  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : NULL                            
REMARK   3   BOND ANGLES            (DEGREES) : NULL                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   KSOL        : 0.38                                                 
REMARK   3   BSOL        : 54.14                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6CDT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-FEB-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000232596.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 30-JUN-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 87                                 
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 17-ID                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0                                
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 S 6M              
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 29890                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
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     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 6.200                              
REMARK 200  R MERGE                    (I) : 0.05500                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.5000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.82                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.90                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.29100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.700                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS            
REMARK 200 SOFTWARE USED: CNX 2005                                              
REMARK 200 STARTING MODEL: 2XP2                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 42.01                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.12                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: CRYSTALLIZED BY THE HANGING DROP VAPOR   
REMARK 280  DIFFUSION METHOD AT 13 DEGREES CELSIUS BY MIXING EQUAL VOLUMES      
REMARK 280  OF A PURIFIED PROTEIN (11-15 MG/ML) SOLUTION WITH A                 
REMARK 280  CRYSTALLIZATION SOLUTION CONTAINING 0.15 M AMMONIUM SULFATE, 9 -    
REMARK 280  10.5% (W/V) MONOMETHYLETHER POLYETHYLENE GLYCOL (MW 5 K) AND 0.1    
REMARK 280  M MES BUFFER IN A PH RANGE OF 5.3-5.6., VAPOR DIFFUSION, HANGING    
REMARK 280  DROP, TEMPERATURE 286K                                              
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       26.01400            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       52.36450            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       28.73600            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       52.36450            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       26.01400            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       28.73600            
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 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  1085                                                      
REMARK 465     ALA A  1086                                                      
REMARK 465     HIS A  1087                                                      
REMARK 465     HIS A  1088                                                      
REMARK 465     HIS A  1089                                                      
REMARK 465     HIS A  1090                                                      
REMARK 465     HIS A  1091                                                      
REMARK 465     HIS A  1092                                                      
REMARK 465     HIS A  1124                                                      
REMARK 465     GLY A  1125                                                      
REMARK 465     SER A  1136                                                      
REMARK 465     GLY A  1137                                                      
REMARK 465     MET A  1138                                                      
REMARK 465     PRO A  1139                                                      
REMARK 465     ASN A  1140                                                      
REMARK 465     ASP A  1141                                                      
REMARK 465     PRO A  1142                                                      
REMARK 465     SER A  1143                                                      
REMARK 465     ALA A  1280                                                      
REMARK 465     SER A  1281                                                      
REMARK 465     TYR A  1282                                                      
REMARK 465     TYR A  1283                                                      
REMARK 465     ARG A  1284                                                      
REMARK 465     LYS A  1285                                                      
REMARK 465     TYR A  1401                                                      
REMARK 465     GLY A  1402                                                      
REMARK 465     PRO A  1403                                                      
REMARK 465     LEU A  1404                                                      
REMARK 465     VAL A  1405                                                      
REMARK 465     GLU A  1406                                                      
REMARK 465     GLU A  1407                                                      
REMARK 465     GLU A  1408                                                      
REMARK 465     GLU A  1409                                                      
REMARK 465     LYS A  1410                                                      
REMARK 465     VAL A  1411                                                      
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    ARG A1248       -9.45     80.06                                   
REMARK 500    ASP A1249       52.98   -150.67                                   
REMARK 500    SER A1332       -0.57     74.50                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  6CDT A 1093  1411  UNP    Q9UM73   ALK_HUMAN     1093   1411             
SEQADV 6CDT MET A 1085  UNP  Q9UM73              EXPRESSION TAG                 
SEQADV 6CDT ALA A 1086  UNP  Q9UM73              EXPRESSION TAG                 
SEQADV 6CDT HIS A 1087  UNP  Q9UM73              EXPRESSION TAG                 
SEQADV 6CDT HIS A 1088  UNP  Q9UM73              EXPRESSION TAG                 
SEQADV 6CDT HIS A 1089  UNP  Q9UM73              EXPRESSION TAG                 
SEQADV 6CDT HIS A 1090  UNP  Q9UM73              EXPRESSION TAG                 
SEQADV 6CDT HIS A 1091  UNP  Q9UM73              EXPRESSION TAG                 
SEQADV 6CDT HIS A 1092  UNP  Q9UM73              EXPRESSION TAG                 
SEQRES   1 A  327  MET ALA HIS HIS HIS HIS HIS HIS ASN PRO ASN TYR CYS          
SEQRES   2 A  327  PHE ALA GLY LYS THR SER SER ILE SER ASP LEU LYS GLU          
SEQRES   3 A  327  VAL PRO ARG LYS ASN ILE THR LEU ILE ARG GLY LEU GLY          
SEQRES   4 A  327  HIS GLY ALA PHE GLY GLU VAL TYR GLU GLY GLN VAL SER          
SEQRES   5 A  327  GLY MET PRO ASN ASP PRO SER PRO LEU GLN VAL ALA VAL          
SEQRES   6 A  327  LYS THR LEU PRO GLU VAL CYS SER GLU GLN ASP GLU LEU          
SEQRES   7 A  327  ASP PHE LEU MET GLU ALA LEU ILE ILE SER LYS PHE ASN          
SEQRES   8 A  327  HIS GLN ASN ILE VAL ARG CYS ILE GLY VAL SER LEU GLN          
SEQRES   9 A  327  SER LEU PRO ARG PHE ILE LEU LEU GLU LEU MET ALA GLY          
SEQRES  10 A  327  GLY ASP LEU LYS SER PHE LEU ARG GLU THR ARG PRO ARG          
SEQRES  11 A  327  PRO SER GLN PRO SER SER LEU ALA MET LEU ASP LEU LEU          
SEQRES  12 A  327  HIS VAL ALA ARG ASP ILE ALA CYS GLY CYS GLN TYR LEU          
SEQRES  13 A  327  GLU GLU ASN HIS PHE ILE HIS ARG ASP ILE ALA ALA ARG          
SEQRES  14 A  327  ASN CYS LEU LEU THR CYS PRO GLY PRO GLY ARG VAL ALA          
SEQRES  15 A  327  LYS ILE GLY ASP PHE GLY MET ALA ARG ASP ILE TYR ARG          
SEQRES  16 A  327  ALA SER TYR TYR ARG LYS GLY GLY CYS ALA MET LEU PRO          
SEQRES  17 A  327  VAL LYS TRP MET PRO PRO GLU ALA PHE MET GLU GLY ILE          
SEQRES  18 A  327  PHE THR SER LYS THR ASP THR TRP SER PHE GLY VAL LEU          
SEQRES  19 A  327  LEU TRP GLU ILE PHE SER LEU GLY TYR MET PRO TYR PRO          
SEQRES  20 A  327  SER LYS SER ASN GLN GLU VAL LEU GLU PHE VAL THR SER          
SEQRES  21 A  327  GLY GLY ARG MET ASP PRO PRO LYS ASN CYS PRO GLY PRO          
SEQRES  22 A  327  VAL TYR ARG ILE MET THR GLN CYS TRP GLN HIS GLN PRO          
SEQRES  23 A  327  GLU ASP ARG PRO ASN PHE ALA ILE ILE LEU GLU ARG ILE          
SEQRES  24 A  327  GLU TYR CYS THR GLN ASP PRO ASP VAL ILE ASN THR ALA          
SEQRES  25 A  327  LEU PRO ILE GLU TYR GLY PRO LEU VAL GLU GLU GLU GLU          
SEQRES  26 A  327  LYS VAL                                                      
FORMUL   2  HOH   *276(H2 O)                                                    
HELIX    1 AA1 SER A 1106  LEU A 1108  5                                   3    
HELIX    2 AA2 PRO A 1112  ILE A 1116  5                                   5    
HELIX    3 AA3 SER A 1157  PHE A 1174  1                                  18    
HELIX    4 AA4 LEU A 1204  THR A 1211  1                                   8    
HELIX    5 AA5 ALA A 1222  ASN A 1243  1                                  22    
HELIX    6 AA6 ALA A 1251  ARG A 1253  5                                   3    
HELIX    7 AA7 PHE A 1271  ARG A 1279  1                                   9    
HELIX    8 AA8 GLY A 1287  LEU A 1291  5                                   5    
HELIX    9 AA9 PRO A 1292  MET A 1296  5                                   5    
HELIX   10 AB1 PRO A 1297  GLY A 1304  1                                   8    
HELIX   11 AB2 THR A 1307  SER A 1324  1                                  18    
HELIX   12 AB3 SER A 1334  SER A 1344  1                                  11    
HELIX   13 AB4 PRO A 1355  TRP A 1366  1                                  12    
HELIX   14 AB5 GLN A 1369  ARG A 1373  5                                   5    
HELIX   15 AB6 ASN A 1375  ASP A 1389  1                                  15    
HELIX   16 AB7 ASP A 1389  ASN A 1394  1                                   6    
SHEET    1 AA1 2 ASN A1095  PHE A1098  0                                        
SHEET    2 AA1 2 LYS A1101  SER A1104 -1  O  SER A1103   N  TYR A1096           
SHEET    1 AA2 5 THR A1117  GLY A1123  0                                        
SHEET    2 AA2 5 VAL A1130  GLN A1134 -1  O  GLU A1132   N  ILE A1119           
SHEET    3 AA2 5 GLN A1146  THR A1151 -1  O  VAL A1147   N  GLY A1133           
SHEET    4 AA2 5 PHE A1193  GLU A1197 -1  O  LEU A1196   N  ALA A1148           
SHEET    5 AA2 5 CYS A1182  SER A1186 -1  N  GLY A1184   O  LEU A1195           
SHEET    1 AA3 3 GLY A1202  ASP A1203  0                                        
SHEET    2 AA3 3 CYS A1255  LEU A1257 -1  O  LEU A1257   N  GLY A1202           
SHEET    3 AA3 3 ALA A1266  ILE A1268 -1  O  LYS A1267   N  LEU A1256           
CISPEP   1 LEU A 1190    PRO A 1191          0        -3.20                     
CRYST1   52.028   57.472  104.729  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      0.019220  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.017400  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009548        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system