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Database: PDB
Entry: 3K66
LinkDB: 3K66
Original site: 3K66 
HEADER    CELL ADHESION                           08-OCT-09   3K66              
TITLE     X-RAY CRYSTAL STRUCTURE OF THE E2 DOMAIN OF C. ELEGANS APL-1          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BETA-AMYLOID-LIKE PROTEIN;                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: E2 DOMAIN: UNP RESIDUES 240-478;                           
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS;                         
SOURCE   3 ORGANISM_COMMON: NEMATODE;                                           
SOURCE   4 ORGANISM_TAXID: 6239;                                                
SOURCE   5 GENE: APL-1, C42D8.8;                                                
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
KEYWDS    X-RAY CRYSTAL STRUCTURE, AMYLOID PRECURSOR PROTEIN, HEPARIN BINDING,  
KEYWDS   2 ALTERNATIVE SPLICING, AMYLOID, DEVELOPMENTAL PROTEIN,                
KEYWDS   3 DIFFERENTIATION, GLYCOPROTEIN, MEMBRANE, NEUROGENESIS,               
KEYWDS   4 TRANSMEMBRANE, CELL ADHESION                                         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.T.HOOPES,Y.HA                                                       
REVDAT   4   01-NOV-17 3K66    1       REMARK                                   
REVDAT   3   02-FEB-10 3K66    1       JRNL                                     
REVDAT   2   29-DEC-09 3K66    1       JRNL                                     
REVDAT   1   10-NOV-09 3K66    0                                                
JRNL        AUTH   J.T.HOOPES,X.LIU,X.XU,B.DEMELER,E.FOLTA-STOGNIEW,C.LI,Y.HA   
JRNL        TITL   STRUCTURAL CHARACTERIZATION OF THE E2 DOMAIN OF APL-1, A     
JRNL        TITL 2 CAENORHABDITIS ELEGANS HOMOLOG OF HUMAN AMYLOID PRECURSOR    
JRNL        TITL 3 PROTEIN, AND ITS HEPARIN BINDING SITE                        
JRNL        REF    J.BIOL.CHEM.                  V. 285  2165 2010              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   19906646                                                     
JRNL        DOI    10.1074/JBC.M109.018432                                      
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   Y.WANG,Y.HA                                                  
REMARK   1  TITL   THE X-RAY STRUCTURE OF AN ANTIPARALLEL DIMER OF THE HUMAN    
REMARK   1  TITL 2 AMYLOID PRECURSOR PROTEIN E2 DOMAIN.                         
REMARK   1  REF    MOL.CELL                      V.  15   343 2004              
REMARK   1  REFN                   ISSN 1097-2765                               
REMARK   1  PMID   15304215                                                     
REMARK   1  DOI    10.1016/J.MOLCEL.2004.06.037                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.70 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 : NULL                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.70                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.000                          
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             : 10475                          
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) : 0.251                           
REMARK   3   FREE R VALUE                     : 0.299                           
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           : 10                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.70                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.80                         
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            : 75                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 73.60                          
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) : 0.009                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.280                           
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  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3K66 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-OCT-09.                  
REMARK 100 THE DEPOSITION ID IS D_1000055595.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 15-JUN-07                          
REMARK 200  TEMPERATURE           (KELVIN) : 298                                
REMARK 200  PH                             : 7.0                                
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                             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.54                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU                             
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 10475                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.700                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : 9.700                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.05500                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 25.4000                            
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: SAD                          
REMARK 200 SOFTWARE USED: HKL2MAP                                               
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 62.49                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.28                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 3350, 15% ISOPROPANOL, 0.1 M     
REMARK 280  HEPES PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K       
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+1/3                                           
REMARK 290       6555   -X,-X+Y,-Z+2/3                                          
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       45.31667            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       22.65833            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       22.65833            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       45.31667            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLU A   452                                                      
REMARK 465     LEU A   453                                                      
REMARK 465     THR A   454                                                      
REMARK 465     PRO A   455                                                      
REMARK 465     ILE A   456                                                      
REMARK 465     ILE A   457                                                      
REMARK 465     HIS A   458                                                      
REMARK 465     ASP A   459                                                      
REMARK 465     ASP A   460                                                      
REMARK 465     GLU A   461                                                      
REMARK 465     PHE A   462                                                      
REMARK 465     SER A   463                                                      
REMARK 465     LYS A   464                                                      
REMARK 465     ASN A   465                                                      
REMARK 465     ALA A   466                                                      
REMARK 465     LYS A   467                                                      
REMARK 465     LEU A   468                                                      
REMARK 465     ASP A   469                                                      
REMARK 465     VAL A   470                                                      
REMARK 465     LYS A   471                                                      
REMARK 465     ALA A   472                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS A 240    CG   CD   CE   NZ                                   
REMARK 470     LYS A 252    CD   CE   NZ                                        
REMARK 470     LYS A 253    CG   CD   CE   NZ                                   
REMARK 470     LYS A 264    CD   CE   NZ                                        
REMARK 470     LYS A 271    CD   CE   NZ                                        
REMARK 470     ARG A 279    CD   NE   CZ   NH1  NH2                             
REMARK 470     LYS A 289    CG   CD   CE   NZ                                   
REMARK 470     LYS A 293    CD   CE   NZ                                        
REMARK 470     GLN A 297    CG   CD   OE1  NE2                                  
REMARK 470     ARG A 301    CD   NE   CZ   NH1  NH2                             
REMARK 470     GLN A 303    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 314    CD   CE   NZ                                        
REMARK 470     ARG A 317    CD   NE   CZ   NH1  NH2                             
REMARK 470     GLU A 325    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 326    CD   OE1  OE2                                       
REMARK 470     MET A 331    CG   SD   CE                                        
REMARK 470     LYS A 335    CD   CE   NZ                                        
REMARK 470     GLN A 361    CD   OE1  NE2                                       
REMARK 470     LYS A 372    CD   CE   NZ                                        
REMARK 470     ARG A 382    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     HIS A 383    ND1  CD2  CE1  NE2                                  
REMARK 470     LYS A 386    CG   CD   CE   NZ                                   
REMARK 470     ASP A 388    OD1  OD2                                            
REMARK 470     LYS A 390    CG   CD   CE   NZ                                   
REMARK 470     GLU A 391    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 425    CD   CE   NZ                                        
REMARK 470     ASP A 445    CG   OD1  OD2                                       
REMARK 470     SER A 447    OG                                                  
REMARK 470     VAL A 448    CG1  CG2                                            
REMARK 470     GLU A 449    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 450    CG   OD1  OD2                                       
REMARK 470     SER A 451    CA   C    O    CB   OG                              
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    PRO A 444   C   -  N   -  CA  ANGL. DEV. =  10.1 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    ALA A 242       11.57   -142.46                                   
REMARK 500    TRP A 244       -3.20     56.36                                   
REMARK 500    ASN A 352      -78.25    -78.22                                   
REMARK 500    PRO A 354       81.91    -37.01                                   
REMARK 500    LYS A 356      -88.12     -8.45                                   
REMARK 500    PHE A 420       75.45   -103.28                                   
REMARK 500    PRO A 444     -124.47    -55.71                                   
REMARK 500    ASP A 445      -56.13   -137.78                                   
REMARK 500    ILE A 446      151.68     82.97                                   
REMARK 500    SER A 447      -17.27   -140.43                                   
REMARK 500    ASP A 450       88.82   -168.36                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1RW6   RELATED DB: PDB                                   
REMARK 900 THE E2 DOMAIN OF HUMAN AMYLOID PRECURSOR PROTEIN                     
REMARK 900 RELATED ID: 3K6B   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE E2 DOMAIN OF APL-1 FROM C. ELEGANS, IN      
REMARK 900 COMPLEX WITH SUCROSE OCTASULFATE                                     
DBREF  3K66 A  234   472  UNP    Q10651   A4_CAEEL       240    478             
SEQRES   1 A  239  SER GLN ASP PRO TYR PHE LYS ILE ALA ASN TRP THR ASN          
SEQRES   2 A  239  GLU HIS ASP ASP PHE LYS LYS ALA GLU MET ARG MET ASP          
SEQRES   3 A  239  GLU LYS HIS ARG LYS LYS VAL ASP LYS VAL MET LYS GLU          
SEQRES   4 A  239  TRP GLY ASP LEU GLU THR ARG TYR ASN GLU GLN LYS ALA          
SEQRES   5 A  239  LYS ASP PRO LYS GLY ALA GLU LYS PHE LYS SER GLN MET          
SEQRES   6 A  239  ASN ALA ARG PHE GLN LYS THR VAL SER SER LEU GLU GLU          
SEQRES   7 A  239  GLU HIS LYS ARG MET ARG LYS GLU ILE GLU ALA VAL HIS          
SEQRES   8 A  239  GLU GLU ARG VAL GLN ALA MET LEU ASN GLU LYS LYS ARG          
SEQRES   9 A  239  ASP ALA THR HIS ASP TYR ARG GLN ALA LEU ALA THR HIS          
SEQRES  10 A  239  VAL ASN LYS PRO ASN LYS HIS SER VAL LEU GLN SER LEU          
SEQRES  11 A  239  LYS ALA TYR ILE ARG ALA GLU GLU LYS ASP ARG MET HIS          
SEQRES  12 A  239  THR LEU ASN ARG TYR ARG HIS LEU LEU LYS ALA ASP SER          
SEQRES  13 A  239  LYS GLU ALA ALA ALA TYR LYS PRO THR VAL ILE HIS ARG          
SEQRES  14 A  239  LEU ARG TYR ILE ASP LEU ARG ILE ASN GLY THR LEU ALA          
SEQRES  15 A  239  MET LEU ARG ASP PHE PRO ASP LEU GLU LYS TYR VAL ARG          
SEQRES  16 A  239  PRO ILE ALA VAL THR TYR TRP LYS ASP TYR ARG ASP GLU          
SEQRES  17 A  239  VAL SER PRO ASP ILE SER VAL GLU ASP SER GLU LEU THR          
SEQRES  18 A  239  PRO ILE ILE HIS ASP ASP GLU PHE SER LYS ASN ALA LYS          
SEQRES  19 A  239  LEU ASP VAL LYS ALA                                          
FORMUL   2  HOH   *75(H2 O)                                                     
HELIX    1   1 ASP A  236  ILE A  241  5                                   6    
HELIX    2   2 ASN A  246  ASP A  287  1                                  42    
HELIX    3   3 ASP A  287  LYS A  353  1                                  67    
HELIX    4   4 ASN A  355  ASP A  388  1                                  34    
HELIX    5   5 ASP A  388  ALA A  394  1                                   7    
HELIX    6   6 TYR A  395  MET A  416  1                                  22    
HELIX    7   7 PHE A  420  LYS A  425  1                                   6    
HELIX    8   8 VAL A  427  SER A  443  1                                  17    
CRYST1   97.621   97.621   67.975  90.00  90.00 120.00 P 32 2 1      6          
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      0.010244  0.005914  0.000000        0.00000                         
SCALE2      0.000000  0.011828  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014711        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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