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Database: PDB
Entry: 1MX4
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Original site: 1MX4 
HEADER    CELL CYCLE INHIBITOR                    01-OCT-02   1MX4              
TITLE     STRUCTURE OF P18INK4C (F82Q)                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYCLIN-DEPENDENT KINASE 6 INHIBITOR;                       
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: P18-INK6, CYCLIN-DEPENDENT KINASE 4 INHIBITOR C, P18-INK4C; 
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PRSETA                                    
KEYWDS    ANKYRIN REPEATS, CELL CYCLE INHIBITOR                                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.MARMORSTEIN,R.N.VENKATARAMANI,T.K.MACLACHLAN,X.CHAI,W.S.EL-DEIRY    
REVDAT   4   27-OCT-21 1MX4    1       SEQADV                                   
REVDAT   3   24-FEB-09 1MX4    1       VERSN                                    
REVDAT   2   25-JAN-05 1MX4    1       JRNL                                     
REVDAT   1   16-OCT-02 1MX4    0                                                
JRNL        AUTH   R.N.VENKATARAMANI,T.K.MACLACHLAN,X.CHAI,W.S.EL-DEIRY,        
JRNL        AUTH 2 R.MARMORSTEIN                                                
JRNL        TITL   STRUCTURE-BASED DESIGN OF P18INK4C PROTEINS WITH INCREASED   
JRNL        TITL 2 THERMODYNAMIC STABILITY AND CELL CYCLE INHIBITORY ACTIVITY   
JRNL        REF    J.BIOL.CHEM.                  V. 277 48827 2002              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   12370184                                                     
JRNL        DOI    10.1074/JBC.M208061200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 50.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 97.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 22818                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.231                           
REMARK   3   FREE R VALUE                     : 0.260                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : 2282                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 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            : 2402                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 179                                     
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) : -1.03000                                             
REMARK   3    B22 (A**2) : 3.88600                                              
REMARK   3    B33 (A**2) : -2.85600                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 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) : 0.005                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.240                           
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        : NULL                                                 
REMARK   3   BSOL        : NULL                                                 
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  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3  TOPOLOGY FILE  2   : NULL                                           
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1MX4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-OCT-02.                  
REMARK 100 THE DEPOSITION ID IS D_1000017269.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : 110                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RU300                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : GRAPHITE                           
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV                    
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 22818                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
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     (%) : 97.7                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : 0.03900                            
REMARK 200  R SYM                      (I) : 0.03900                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 23.9000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.05                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 95.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.13800                            
REMARK 200  R SYM FOR SHELL            (I) : 0.13800                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 16.30                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: CNS                                                   
REMARK 200 STARTING MODEL: PDB ENTRY 1IHB                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 46.63                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 5 MG/ML PROTEIN, 20 MM TRIS (PH 8.5),    
REMARK 280  0.5 MM DTT, 14 % PEG 6000, 2 M NACL, VAPOR DIFFUSION, HANGING       
REMARK 280  DROP, TEMPERATURE 273K                                              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X+1/2,Y+1/2,-Z                                         
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        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000       27.53500            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       75.58700            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       27.53500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       75.58700            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     GLU A     3                                                      
REMARK 465     PRO A     4                                                      
REMARK 465     ALA A   161                                                      
REMARK 465     GLY A   162                                                      
REMARK 465     GLY A   163                                                      
REMARK 465     ALA A   164                                                      
REMARK 465     THR A   165                                                      
REMARK 465     ASN A   166                                                      
REMARK 465     LEU A   167                                                      
REMARK 465     GLN A   168                                                      
REMARK 465     MET B     1                                                      
REMARK 465     ALA B     2                                                      
REMARK 465     GLU B     3                                                      
REMARK 465     GLY B   163                                                      
REMARK 465     ALA B   164                                                      
REMARK 465     THR B   165                                                      
REMARK 465     ASN B   166                                                      
REMARK 465     LEU B   167                                                      
REMARK 465     GLN B   168                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    ARG A   145     NH2  ARG B    54     3546     2.16            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1MX2   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF P18INK4C (F71N)                                         
REMARK 900 RELATED ID: 1MX6   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF P18INK4C (F92N)                                         
DBREF  1MX4 A    1   168  UNP    P42773   CDN2C_HUMAN      1    168             
DBREF  1MX4 B    1   168  UNP    P42773   CDN2C_HUMAN      1    168             
SEQADV 1MX4 GLN A   82  UNP  P42773    PHE    82 ENGINEERED MUTATION            
SEQADV 1MX4 GLN B   82  UNP  P42773    PHE    82 ENGINEERED MUTATION            
SEQRES   1 A  168  MET ALA GLU PRO TRP GLY ASN GLU LEU ALA SER ALA ALA          
SEQRES   2 A  168  ALA ARG GLY ASP LEU GLU GLN LEU THR SER LEU LEU GLN          
SEQRES   3 A  168  ASN ASN VAL ASN VAL ASN ALA GLN ASN GLY PHE GLY ARG          
SEQRES   4 A  168  THR ALA LEU GLN VAL MET LYS LEU GLY ASN PRO GLU ILE          
SEQRES   5 A  168  ALA ARG ARG LEU LEU LEU ARG GLY ALA ASN PRO ASP LEU          
SEQRES   6 A  168  LYS ASP ARG THR GLY PHE ALA VAL ILE HIS ASP ALA ALA          
SEQRES   7 A  168  ARG ALA GLY GLN LEU ASP THR LEU GLN THR LEU LEU GLU          
SEQRES   8 A  168  PHE GLN ALA ASP VAL ASN ILE GLU ASP ASN GLU GLY ASN          
SEQRES   9 A  168  LEU PRO LEU HIS LEU ALA ALA LYS GLU GLY HIS LEU ARG          
SEQRES  10 A  168  VAL VAL GLU PHE LEU VAL LYS HIS THR ALA SER ASN VAL          
SEQRES  11 A  168  GLY HIS ARG ASN HIS LYS GLY ASP THR ALA CYS ASP LEU          
SEQRES  12 A  168  ALA ARG LEU TYR GLY ARG ASN GLU VAL VAL SER LEU MET          
SEQRES  13 A  168  GLN ALA ASN GLY ALA GLY GLY ALA THR ASN LEU GLN              
SEQRES   1 B  168  MET ALA GLU PRO TRP GLY ASN GLU LEU ALA SER ALA ALA          
SEQRES   2 B  168  ALA ARG GLY ASP LEU GLU GLN LEU THR SER LEU LEU GLN          
SEQRES   3 B  168  ASN ASN VAL ASN VAL ASN ALA GLN ASN GLY PHE GLY ARG          
SEQRES   4 B  168  THR ALA LEU GLN VAL MET LYS LEU GLY ASN PRO GLU ILE          
SEQRES   5 B  168  ALA ARG ARG LEU LEU LEU ARG GLY ALA ASN PRO ASP LEU          
SEQRES   6 B  168  LYS ASP ARG THR GLY PHE ALA VAL ILE HIS ASP ALA ALA          
SEQRES   7 B  168  ARG ALA GLY GLN LEU ASP THR LEU GLN THR LEU LEU GLU          
SEQRES   8 B  168  PHE GLN ALA ASP VAL ASN ILE GLU ASP ASN GLU GLY ASN          
SEQRES   9 B  168  LEU PRO LEU HIS LEU ALA ALA LYS GLU GLY HIS LEU ARG          
SEQRES  10 B  168  VAL VAL GLU PHE LEU VAL LYS HIS THR ALA SER ASN VAL          
SEQRES  11 B  168  GLY HIS ARG ASN HIS LYS GLY ASP THR ALA CYS ASP LEU          
SEQRES  12 B  168  ALA ARG LEU TYR GLY ARG ASN GLU VAL VAL SER LEU MET          
SEQRES  13 B  168  GLN ALA ASN GLY ALA GLY GLY ALA THR ASN LEU GLN              
FORMUL   3  HOH   *179(H2 O)                                                    
HELIX    1   1 TRP A    5  GLY A   16  1                                  12    
HELIX    2   2 ASP A   17  LEU A   25  1                                   9    
HELIX    3   3 THR A   40  MET A   45  1                                   6    
HELIX    4   4 ASN A   49  ARG A   59  1                                  11    
HELIX    5   5 ALA A   72  ALA A   80  1                                   9    
HELIX    6   6 GLN A   82  PHE A   92  1                                  11    
HELIX    7   7 LEU A  105  GLY A  114  1                                  10    
HELIX    8   8 HIS A  115  THR A  126  1                                  12    
HELIX    9   9 THR A  139  TYR A  147  1                                   9    
HELIX   10  10 ARG A  149  ASN A  159  1                                  11    
HELIX   11  11 PRO B    4  GLY B   16  1                                  13    
HELIX   12  12 ASP B   17  ASN B   27  1                                  11    
HELIX   13  13 THR B   40  MET B   45  1                                   6    
HELIX   14  14 ASN B   49  ARG B   59  1                                  11    
HELIX   15  15 ALA B   72  ALA B   80  1                                   9    
HELIX   16  16 GLN B   82  PHE B   92  1                                  11    
HELIX   17  17 LEU B  105  GLU B  113  1                                   9    
HELIX   18  18 HIS B  115  THR B  126  1                                  12    
HELIX   19  19 THR B  139  TYR B  147  1                                   9    
HELIX   20  20 ARG B  149  ASN B  159  1                                  11    
CRYST1   55.070  151.174   40.149  90.00  90.00  90.00 P 21 21 2     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      0.018159  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.006615  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.024907        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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