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Database: PDB
Entry: 1B8M
LinkDB: 1B8M
Original site: 1B8M 
HEADER    GROWTH FACTOR/NEUROTROPHIN-4            01-FEB-99   1B8M              
TITLE     BRAIN DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-4                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN (BRAIN DERIVED NEUROTROPHIC FACTOR);               
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: BDNF;                                                       
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: PROTEIN (NEUROTROPHIN-4);                                  
COMPND   8 CHAIN: B;                                                            
COMPND   9 SYNONYM: NT4;                                                        
COMPND  10 ENGINEERED: 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;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 OTHER_DETAILS: SUPPLIED BY REGENERON PHARM.;                         
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  13 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  14 OTHER_DETAILS: SUPPLIED BY REGENERON PHARM.                          
KEYWDS    COMPLEX (GROWTH FACTOR/GROWTH FACTOR), NEUROTROPHIN, GROWTH           
KEYWDS   2 FACTOR/NEUROTROPHIN-4 COMPLEX                                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.C.ROBINSON,C.RADZIEJEWSKI,D.I.STUART,E.Y.JONES,S.CHOE               
REVDAT   5   24-FEB-09 1B8M    1       VERSN                                    
REVDAT   4   01-APR-03 1B8M    1       JRNL                                     
REVDAT   3   08-APR-03 1B8M    1       SOURCE KEYWDS REMARK                     
REVDAT   2   12-JAN-00 1B8M    1       JRNL   DBREF                             
REVDAT   1   09-FEB-99 1B8M    0                                                
JRNL        AUTH   R.C.ROBINSON,C.RADZIEJEWSKI,G.SPRAGGON,J.GREENWALD,          
JRNL        AUTH 2 M.R.KOSTURA,L.D.BURTNICK,D.I.STUART,S.CHOE,                  
JRNL        AUTH 3 E.Y.JONES                                                    
JRNL        TITL   THE STRUCTURES OF THE NEUROTROPHIN 4 HOMODIMER AND           
JRNL        TITL 2 THE BRAIN-DERIVED NEUROTROPHIC FACTOR/NEUROTROPHIN           
JRNL        TITL 3 4 HETERODIMER REVEAL A COMMON TRK-BINDING SITE.              
JRNL        REF    PROTEIN SCI.                  V.   8  2589 1999              
JRNL        REFN                   ISSN 0961-8368                               
JRNL        PMID   10631974                                                     
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   R.C.ROBINSON,C.RADZIEJEWSKI,D.I.STUART,E.Y.JONES             
REMARK   1  TITL   STRUCTURE OF THE BRAIN-DERIVED NEUROTROPHIC FACTOR           
REMARK   1  TITL 2 (SLASH)NEUROTROPHIN 3 HETERODIMER                            
REMARK   1  REF    BIOCHEMISTRY                  V.  34  4139 1995              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   C.RADZIEJEWSKI,R.C.ROBINSON                                  
REMARK   1  TITL   HETERODIMERS OF THE NEUROTROPHIC FACTORS:                    
REMARK   1  TITL 2 FORMATION, ISOLATION, AND DIFFERENTIAL STABILITY             
REMARK   1  REF    BIOCHEMISTRY                  V.  32 13350 1993              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.75 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) : 2.75                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 10000000.000                   
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0010                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 98.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 7858                           
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) : 0.198                           
REMARK   3   FREE R VALUE                     : 0.279                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
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            : 1721                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 57                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 36.90                          
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) : 0.014                           
REMARK   3   BOND ANGLES            (DEGREES) : 2.00                            
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  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 1B8M COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-FEB-99.                  
REMARK 100 THE RCSB ID CODE IS RCSB000418.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : 270.0                              
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SRS                                
REMARK 200  BEAMLINE                       : PX9.6                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MAR SCANNER 300 MM PLATE           
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 7858                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.750                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.0                               
REMARK 200  DATA REDUNDANCY                : 2.700                              
REMARK 200  R MERGE                    (I) : 0.06000                            
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: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: 1BNF                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 50.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.53                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.0                                   
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       25.35000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       52.95000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       25.35000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       52.95000            
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: 2830 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 13150 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.0 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 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     HIS A     1                                                      
REMARK 465     SER A     2                                                      
REMARK 465     ASP A     3                                                      
REMARK 465     PRO A     4                                                      
REMARK 465     ALA A     5                                                      
REMARK 465     ARG A     6                                                      
REMARK 465     ARG A     7                                                      
REMARK 465     ARG A   117                                                      
REMARK 465     GLY A   118                                                      
REMARK 465     ARG A   119                                                      
REMARK 465     GLY B     1                                                      
REMARK 465     VAL B     2                                                      
REMARK 465     SER B     3                                                      
REMARK 465     GLU B     4                                                      
REMARK 465     THR B     5                                                      
REMARK 465     ALA B     6                                                      
REMARK 465     PRO B     7                                                      
REMARK 465     ALA B     8                                                      
REMARK 465     SER B     9                                                      
REMARK 465     ARG B    10                                                      
REMARK 465     ARG B    11                                                      
REMARK 465     ASP B    66                                                      
REMARK 465     ASN B    67                                                      
REMARK 465     GLU B    68A                                                     
REMARK 465     GLU B    68B                                                     
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    GLU A   9   CD    GLU A   9   OE2     0.069                       
REMARK 500    GLU B  13   CD    GLU B  13   OE2     0.073                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG B  27   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.7 DEGREES          
REMARK 500    GLY B 128   N   -  CA  -  C   ANGL. DEV. =  18.6 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    LYS A  46       -7.38     89.82                                   
REMARK 500    MET A  61       40.83   -109.15                                   
REMARK 500    ALA B  73     -103.97     -0.36                                   
REMARK 500    ASP B  82       94.15    -59.17                                   
REMARK 500    ARG B 126     -164.23     78.59                                   
REMARK 500    THR B 127      166.96    170.41                                   
REMARK 500    ARG B 129       64.88     85.23                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1B8M A    1   119  GB     M61176   HUMBDNFB       133    251             
DBREF  1B8M B    1   130  GB     M86528   HUMPPNT4P       81    210             
SEQRES   1 A  119  HIS SER ASP PRO ALA ARG ARG GLY GLU LEU SER VAL CYS          
SEQRES   2 A  119  ASP SER ILE SER GLU TRP VAL THR ALA ALA ASP LYS LYS          
SEQRES   3 A  119  THR ALA VAL ASP MET SER GLY GLY THR VAL THR VAL LEU          
SEQRES   4 A  119  GLU LYS VAL PRO VAL SER LYS GLY GLN LEU LYS GLN TYR          
SEQRES   5 A  119  PHE TYR GLU THR LYS CYS ASN PRO MET GLY TYR THR LYS          
SEQRES   6 A  119  GLU GLY CYS ARG GLY ILE ASP LYS ARG HIS TRP ASN SER          
SEQRES   7 A  119  GLN CYS ARG THR THR GLN SER TYR VAL ARG ALA LEU THR          
SEQRES   8 A  119  MET ASP SER LYS LYS ARG ILE GLY TRP ARG PHE ILE ARG          
SEQRES   9 A  119  ILE ASP THR SER CYS VAL CYS THR LEU THR ILE LYS ARG          
SEQRES  10 A  119  GLY ARG                                                      
SEQRES   1 B  130  GLY VAL SER GLU THR ALA PRO ALA SER ARG ARG GLY GLU          
SEQRES   2 B  130  LEU ALA VAL CYS ASP ALA VAL SER GLY TRP VAL THR ASP          
SEQRES   3 B  130  ARG ARG THR ALA VAL ASP LEU ARG GLY ARG GLU VAL GLU          
SEQRES   4 B  130  VAL LEU GLY GLU VAL PRO ALA ALA GLY GLY SER PRO LEU          
SEQRES   5 B  130  ARG GLN TYR PHE PHE GLU THR ARG CYS LYS ALA ASP ASN          
SEQRES   6 B  130  ALA GLU GLU GLY GLY PRO GLY ALA GLY GLY GLY GLY CYS          
SEQRES   7 B  130  ARG GLY VAL ASP ARG ARG HIS TRP VAL SER GLU CYS LYS          
SEQRES   8 B  130  ALA LYS GLN SER TYR VAL ARG ALA LEU THR ALA ASP ALA          
SEQRES   9 B  130  GLN GLY ARG VAL GLY TRP ARG TRP ILE ARG ILE ASP THR          
SEQRES  10 B  130  ALA CYS VAL CYS THR LEU LEU SER ARG THR GLY ARG ALA          
FORMUL   3  HOH   *57(H2 O)                                                     
HELIX    1   1 ALA A   22  LYS A   25  5                                   4    
SHEET    1   A 2 SER A  15  THR A  21  0                                        
SHEET    2   A 2 TYR A  52  CYS A  58 -1  N  LYS A  57   O  ILE A  16           
SHEET    1   B 2 THR A  27  VAL A  29  0                                        
SHEET    2   B 2 THR A  35  THR A  37 -1  N  VAL A  36   O  ALA A  28           
SHEET    1   C 2 LYS A  41  VAL A  44  0                                        
SHEET    2   C 2 GLY A  47  LYS A  50 -1  N  LEU A  49   O  VAL A  42           
SHEET    1   D 2 ASN A  77  MET A  92  0                                        
SHEET    2   D 2 ILE A  98  THR A 114 -1  N  THR A 114   O  ASN A  77           
SHEET    1   E 2 ALA B  19  VAL B  24  0                                        
SHEET    2   E 2 PHE B  56  CYS B  61 -1  N  ARG B  60   O  VAL B  20           
SHEET    1   F 2 THR B  29  VAL B  31  0                                        
SHEET    2   F 2 GLU B  37  GLU B  39 -1  N  VAL B  38   O  ALA B  30           
SHEET    1   G 2 GLN B  94  ALA B 102  0                                        
SHEET    2   G 2 VAL B 108  ASP B 116 -1  N  ILE B 115   O  SER B  95           
SHEET    1   H 2 VAL B  87  LYS B  93  0                                        
SHEET    2   H 2 ALA B 118  SER B 125 -1  N  SER B 125   O  VAL B  87           
SSBOND   1 CYS A   13    CYS A   80                          1555   1555  2.01  
SSBOND   2 CYS A   58    CYS A  109                          1555   1555  2.04  
SSBOND   3 CYS A   68    CYS A  111                          1555   1555  2.02  
SSBOND   4 CYS B   17    CYS B   90                          1555   1555  2.02  
SSBOND   5 CYS B   61    CYS B  119                          1555   1555  2.02  
SSBOND   6 CYS B   78    CYS B  121                          1555   1555  2.02  
CRYST1   50.700  105.900   51.800  90.00  90.00  90.00 P 21 21 2     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      0.019724  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.009443  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.019305        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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