GenomeNet

Database: PDB
Entry: 1MKB
LinkDB: 1MKB
Original site: 1MKB 
HEADER    FATTY ACID BIOSYNTHESIS                 08-JAN-96   1MKB              
TITLE     ESCHERICHIA COLI BETA-HYDROXYDECANOYL THIOL ESTER DEHYDRASE           
TITLE    2 AT PH 5 AND 21 DEGREES C                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BETA-HYDROXYDECANOYL THIOL ESTER DEHYDRASE;                
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: BETA-HYDROXYDECANOYL ACP DEHYDRASE;                         
COMPND   5 EC: 4.2.1.60;                                                        
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
SOURCE   3 ORGANISM_TAXID: 562;                                                 
SOURCE   4 STRAIN: RA244;                                                       
SOURCE   5 GENE: FABA;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: BACTERIAL;                            
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PRA244;                                   
SOURCE  10 EXPRESSION_SYSTEM_GENE: FABA;                                        
SOURCE  11 OTHER_DETAILS: TAC PROMOTER                                          
KEYWDS    FATTY ACID BIOSYNTHESIS                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.LEESONG                                                             
REVDAT   2   24-FEB-09 1MKB    1       VERSN                                    
REVDAT   1   11-JUL-96 1MKB    0                                                
JRNL        AUTH   M.LEESONG,B.S.HENDERSON,J.R.GILLIG,J.M.SCHWAB,               
JRNL        AUTH 2 J.L.SMITH                                                    
JRNL        TITL   STRUCTURE OF A DEHYDRATASE-ISOMERASE FROM THE                
JRNL        TITL 2 BACTERIAL PATHWAY FOR BIOSYNTHESIS OF UNSATURATED            
JRNL        TITL 3 FATTY ACIDS: TWO CATALYTIC ACTIVITIES IN ONE                 
JRNL        TITL 4 ACTIVE SITE.                                                 
JRNL        REF    STRUCTURE                     V.   4   253 1996              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   8805534                                                      
JRNL        DOI    10.1016/S0969-2126(96)00030-5                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR                                               
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 7.00                           
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 1.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 20804                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
REMARK   3   R VALUE            (WORKING SET) : 0.183                           
REMARK   3   FREE R VALUE                     : 0.243                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
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            : 2650                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 163                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 33.00                          
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) : 0.010                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.63                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 27.80                           
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  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:  RESIDUES B 136 - B 137 FORM A            
REMARK   3  POORLY ORDERED LOOP AND HAVE HIGH ISOTROPIC B-FACTORS.              
REMARK   4                                                                      
REMARK   4 1MKB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : SEP-94                             
REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : NULL                               
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS                       
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 21621                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : NULL                               
REMARK 200  RESOLUTION RANGE LOW       (A) : NULL                               
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 92.9                               
REMARK 200  DATA REDUNDANCY                : 2.800                              
REMARK 200  R MERGE                    (I) : 0.06300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
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: NULL                                           
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: X-PLOR                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 47.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.39                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       34.25000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       30.25000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       43.45000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       30.25000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       34.25000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       43.45000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3200 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 13890 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -19.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 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    ASP A  74       62.08   -158.15                                   
REMARK 500    ARG A 136     -135.76    -99.66                                   
REMARK 500    THR B  45     -169.39   -128.99                                   
REMARK 500    ASP B  74       68.94   -156.53                                   
REMARK 500    ASN B 135       40.40    -95.35                                   
REMARK 500    ARG B 136     -154.52    -89.66                                   
REMARK 500    LEU B 138       83.98    155.31                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: UNKNOWN                                               
REMARK 800 SITE_DESCRIPTION: TWO POLAR RESIDUES ARE FOUND IN THE CATALYTIC      
REMARK 800  REGION OF THE ACTIVE SITE.                                          
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: UNKNOWN                                               
REMARK 800 SITE_DESCRIPTION: TWO POLAR RESIDUES ARE FOUND IN THE CATALYTIC      
REMARK 800  REGION OF THE ACTIVE SITE.                                          
DBREF  1MKB A    1   171  UNP    P0A6Q3   FABA_ECOLI       1    171             
DBREF  1MKB B    1   171  UNP    P0A6Q3   FABA_ECOLI       1    171             
SEQRES   1 A  171  VAL ASP LYS ARG GLU SER TYR THR LYS GLU ASP LEU LEU          
SEQRES   2 A  171  ALA SER GLY ARG GLY GLU LEU PHE GLY ALA LYS GLY PRO          
SEQRES   3 A  171  GLN LEU PRO ALA PRO ASN MET LEU MET MET ASP ARG VAL          
SEQRES   4 A  171  VAL LYS MET THR GLU THR GLY GLY ASN PHE ASP LYS GLY          
SEQRES   5 A  171  TYR VAL GLU ALA GLU LEU ASP ILE ASN PRO ASP LEU TRP          
SEQRES   6 A  171  PHE PHE GLY CYS HIS PHE ILE GLY ASP PRO VAL MET PRO          
SEQRES   7 A  171  GLY CYS LEU GLY LEU ASP ALA MET TRP GLN LEU VAL GLY          
SEQRES   8 A  171  PHE TYR LEU GLY TRP LEU GLY GLY GLU GLY LYS GLY ARG          
SEQRES   9 A  171  ALA LEU GLY VAL GLY GLU VAL LYS PHE THR GLY GLN VAL          
SEQRES  10 A  171  LEU PRO THR ALA LYS LYS VAL THR TYR ARG ILE HIS PHE          
SEQRES  11 A  171  LYS ARG ILE VAL ASN ARG ARG LEU ILE MET GLY LEU ALA          
SEQRES  12 A  171  ASP GLY GLU VAL LEU VAL ASP GLY ARG LEU ILE TYR THR          
SEQRES  13 A  171  ALA SER ASP LEU LYS VAL GLY LEU PHE GLN ASP THR SER          
SEQRES  14 A  171  ALA PHE                                                      
SEQRES   1 B  171  VAL ASP LYS ARG GLU SER TYR THR LYS GLU ASP LEU LEU          
SEQRES   2 B  171  ALA SER GLY ARG GLY GLU LEU PHE GLY ALA LYS GLY PRO          
SEQRES   3 B  171  GLN LEU PRO ALA PRO ASN MET LEU MET MET ASP ARG VAL          
SEQRES   4 B  171  VAL LYS MET THR GLU THR GLY GLY ASN PHE ASP LYS GLY          
SEQRES   5 B  171  TYR VAL GLU ALA GLU LEU ASP ILE ASN PRO ASP LEU TRP          
SEQRES   6 B  171  PHE PHE GLY CYS HIS PHE ILE GLY ASP PRO VAL MET PRO          
SEQRES   7 B  171  GLY CYS LEU GLY LEU ASP ALA MET TRP GLN LEU VAL GLY          
SEQRES   8 B  171  PHE TYR LEU GLY TRP LEU GLY GLY GLU GLY LYS GLY ARG          
SEQRES   9 B  171  ALA LEU GLY VAL GLY GLU VAL LYS PHE THR GLY GLN VAL          
SEQRES  10 B  171  LEU PRO THR ALA LYS LYS VAL THR TYR ARG ILE HIS PHE          
SEQRES  11 B  171  LYS ARG ILE VAL ASN ARG ARG LEU ILE MET GLY LEU ALA          
SEQRES  12 B  171  ASP GLY GLU VAL LEU VAL ASP GLY ARG LEU ILE TYR THR          
SEQRES  13 B  171  ALA SER ASP LEU LYS VAL GLY LEU PHE GLN ASP THR SER          
SEQRES  14 B  171  ALA PHE                                                      
FORMUL   3  HOH   *163(H2 O)                                                    
HELIX    1   1 LYS A    9  ARG A   17  1                                   9    
HELIX    2   2 TRP A   65  CYS A   69  1                                   5    
HELIX    3   3 GLY A   79  TRP A   96  1                                  18    
HELIX    4   4 THR A  168  ALA A  170  5                                   3    
HELIX    5   5 LYS B    9  ARG B   17  1                                   9    
HELIX    6   6 TRP B   65  CYS B   69  1                                   5    
HELIX    7   7 GLY B   79  TRP B   96  1                                  18    
SHEET    1   A14 GLU A   5  LYS A   9  0                                        
SHEET    2   A14 ASP A  37  THR A  43 -1  N  MET A  42   O  GLU A   5           
SHEET    3   A14 GLY A  52  ILE A  60 -1  N  TYR A  53   O  THR A  43           
SHEET    4   A14 LYS A 122  ARG A 136 -1  N  PHE A 130   O  GLY A  52           
SHEET    5   A14 LEU A 138  ASP A 150 -1  N  ASP A 150   O  LYS A 123           
SHEET    6   A14 ARG A 152  PHE A 165 -1  N  ARG A 152   O  VAL A 149           
SHEET    7   A14 LYS A 102  THR A 114 -1  N  THR A 114   O  ILE A 154           
SHEET    8   A14 LYS B 102  THR B 114 -1  N  PHE B 113   O  LEU A 106           
SHEET    9   A14 ARG B 152  PHE B 165 -1  N  PHE B 165   O  LYS B 102           
SHEET   10   A14 LEU B 138  ASP B 150 -1  N  VAL B 149   O  ARG B 152           
SHEET   11   A14 LYS B 122  ARG B 136 -1  N  ARG B 136   O  LEU B 138           
SHEET   12   A14 GLY B  52  ILE B  60 -1  N  ILE B  60   O  LYS B 122           
SHEET   13   A14 ASP B  37  THR B  43 -1  N  ASP B  37   O  GLU B  57           
SHEET   14   A14 GLU B   5  LYS B   9 -1  N  LYS B   9   O  ASP B  37           
CISPEP   1 PRO A   31    ASN A   32          0         2.11                     
CISPEP   2 HIS A   70    PHE A   71          0        -1.08                     
CISPEP   3 PRO B   31    ASN B   32          0         0.90                     
CISPEP   4 HIS B   70    PHE B   71          0        -0.70                     
SITE     1 AC1  2 HIS A  70  ASP B  84                                          
SITE     1 AC2  2 HIS B  70  ASP A  84                                          
CRYST1   68.500   86.900   60.500  90.00  90.00  90.00 P 21 21 21    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      0.014599  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.011507  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.016529        0.00000                         
MTRIX1   1 -0.935900  0.159000 -0.314300      -11.66340    1                    
MTRIX2   1  0.159700 -0.603800 -0.780900       24.64240    1                    
MTRIX3   1 -0.314000 -0.781100  0.539800       10.02840    1                    
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system