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Database: PDB
Entry: 2O39
LinkDB: 2O39
Original site: 2O39 
HEADER    VIRAL PROTEIN/IMMUNE SYSTEM             01-DEC-06   2O39              
TITLE     HUMAN ADENOVIRUS TYPE 11 KNOB IN COMPLEX WITH DOMAINS SCR1 AND SCR2 OF
TITLE    2 CD46 (MEMBRANE COFACTOR PROTEIN, MCP)                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FIBER PROTEIN;                                             
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: RESIDUES 129-325;                                          
COMPND   5 SYNONYM: PIV;                                                        
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: MEMBRANE COFACTOR PROTEIN;                                 
COMPND   9 CHAIN: C, D;                                                         
COMPND  10 FRAGMENT: SCR1 AND SCR 2 DOMAINS;                                    
COMPND  11 SYNONYM: TROPHOBLAST LEUKOCYTE COMMON ANTIGEN, TLX, CD46 ANTIGEN;    
COMPND  12 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN ADENOVIRUS 11P;                           
SOURCE   3 ORGANISM_TAXID: 343462;                                              
SOURCE   4 STRAIN: SLOBISKI;                                                    
SOURCE   5 GENE: PIV;                                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSETTA 2 DE3;                             
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET15B;                                   
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 GENE: CD46, MCP;                                                     
SOURCE  16 EXPRESSION_SYSTEM: CRICETULUS GRISEUS;                               
SOURCE  17 EXPRESSION_SYSTEM_COMMON: CHINESE HAMSTER;                           
SOURCE  18 EXPRESSION_SYSTEM_TAXID: 10029;                                      
SOURCE  19 EXPRESSION_SYSTEM_CELL_LINE: CHO-LEC3281;                            
SOURCE  20 EXPRESSION_SYSTEM_CELL: CHO CELL;                                    
SOURCE  21 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  22 EXPRESSION_SYSTEM_PLASMID: PBJ5                                      
KEYWDS    MEMBRANE COFACTOR PROTEIN, MCP, CD46, ADENOVIRUS, FIBER KNOB, AD11,   
KEYWDS   2 VIRUS RECEPTOR COMPLEX, SCR, SHORT CONSENSUS REPEAT, CCP, COMPLEMENT 
KEYWDS   3 CONTROL PROTEIN, VIRAL PROTEIN-IMMUNE SYSTEM COMPLEX                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    D.B.PERSSON,D.M.REITER,N.ARNBERG,T.STEHLE                             
REVDAT   5   29-JUL-20 2O39    1       COMPND REMARK HETNAM LINK                
REVDAT   5 2                   1       SITE   ATOM                              
REVDAT   4   13-JUL-11 2O39    1       VERSN                                    
REVDAT   3   24-FEB-09 2O39    1       VERSN                                    
REVDAT   2   20-FEB-07 2O39    1       JRNL                                     
REVDAT   1   09-JAN-07 2O39    0                                                
JRNL        AUTH   B.D.PERSSON,D.M.REITER,M.MARTTILA,Y.F.MEI,J.M.CASASNOVAS,    
JRNL        AUTH 2 N.ARNBERG,T.STEHLE                                           
JRNL        TITL   ADENOVIRUS TYPE 11 BINDING ALTERS THE CONFORMATION OF ITS    
JRNL        TITL 2 RECEPTOR CD46.                                               
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  14   164 2007              
JRNL        REFN                   ISSN 1545-9993                               
JRNL        PMID   17220899                                                     
JRNL        DOI    10.1038/NSMB1190                                             
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.85 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.85                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 40.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 93.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 18738                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.238                           
REMARK   3   FREE R VALUE                     : 0.273                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : 1869                            
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            : 5134                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 81                                      
REMARK   3   SOLVENT ATOMS            : 34                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : NULL                            
REMARK   3   BOND ANGLES            (DEGREES) : NULL                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   KSOL        : 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 2O39 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-DEC-06.                  
REMARK 100 THE DEPOSITION ID IS D_1000040631.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-MAY-06                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 3                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SLS                                
REMARK 200  BEAMLINE                       : X06SA                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0                                
REMARK 200  MONOCHROMATOR                  : UNDULATOR                          
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 225 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 18738                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.850                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 93.1                               
REMARK 200  DATA REDUNDANCY                : 4.100                              
REMARK 200  R MERGE                    (I) : 0.13800                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 7.2300                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.85                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.95                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 83.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.32500                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.640                              
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: HUMAN ADENOVIRUS TYPE 11 (UNPUBLISHED) CD46 SCR1     
REMARK 200  AND SCR2                                                            
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 59.50                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.04                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 35% PEG 200, 200MM CACL2, 100MM TRIS,    
REMARK 280  PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 3                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,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 -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        0.00000            
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        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 300 REMARK: TRIMER CONSISTING OF THREE AD11 CHAINS AND THREE CD46 SCR1   
REMARK 300 AND SCR2 CHAINS. THE ASYMMETRIC UNIT CONTAINS TWO COPIES OF AN AD11  
REMARK 300 CHAIN, BELONGING TO DIFFERENT TRIMERS, AND TWO COPIES OF CD46, ALSO  
REMARK 300 BELONGING TO DIFFERENT TRIMERS. THE BIOLOGICAL UNITS, THE TRIMERS,   
REMARK 300 CAN BE CREATED THROUGH APPLICATION OF CRYSTALLOGRAPHIC SYMMETRY      
REMARK 300 OPERATORS.                                                           
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: HEXAMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, E                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2 -0.500000 -0.866025  0.000000       53.07000            
REMARK 350   BIOMT2   2  0.866025 -0.500000  0.000000       91.91994            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   3 -0.500000  0.866025  0.000000      -53.07000            
REMARK 350   BIOMT2   3 -0.866025 -0.500000  0.000000       91.91994            
REMARK 350   BIOMT3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, D, F                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 350   BIOMT2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 350   BIOMT3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   OH   TYR A   319     OH   TYR A   319     2665     1.90            
REMARK 500   OH   TYR B   319     OH   TYR B   319     3555     1.90            
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    PRO D   5   C   -  N   -  CD  ANGL. DEV. = -13.1 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    ASN A 139       91.27     12.78                                   
REMARK 500    SER A 150       20.50    -67.30                                   
REMARK 500    SER A 153       93.90     74.39                                   
REMARK 500    ASN A 154       94.67     25.32                                   
REMARK 500    ASN A 192      130.62    173.72                                   
REMARK 500    PRO A 215      160.32    -39.80                                   
REMARK 500    SER A 238      128.41    -36.91                                   
REMARK 500    ASP A 265       17.87    -67.89                                   
REMARK 500    ASN A 278       70.64     10.62                                   
REMARK 500    ASN A 283     -168.71   -179.54                                   
REMARK 500    THR A 286       98.81    -66.92                                   
REMARK 500    THR A 298     -168.25   -119.63                                   
REMARK 500    PRO A 302        0.99    -65.54                                   
REMARK 500    GLN A 305      -62.30    -19.39                                   
REMARK 500    ALA A 308      155.98    -49.68                                   
REMARK 500    THR A 309      -96.93   -154.61                                   
REMARK 500    ASN B 139       91.99     12.05                                   
REMARK 500    SER B 150       21.89    -67.27                                   
REMARK 500    SER B 153      101.22     69.05                                   
REMARK 500    ASN B 154      109.57     -3.38                                   
REMARK 500    ASN B 192      132.24    173.70                                   
REMARK 500    PRO B 215      160.78    -39.81                                   
REMARK 500    SER B 238      129.61    -37.13                                   
REMARK 500    ASP B 265       18.30    -68.34                                   
REMARK 500    ASN B 278       71.06      9.38                                   
REMARK 500    ASN B 283     -168.89    179.89                                   
REMARK 500    THR B 286       98.70    -65.60                                   
REMARK 500    THR B 298     -168.14   -119.84                                   
REMARK 500    PRO B 302        2.08    -66.19                                   
REMARK 500    GLN B 305      -62.30    -20.11                                   
REMARK 500    ALA B 308      156.42    -49.21                                   
REMARK 500    THR B 309      -96.84   -155.79                                   
REMARK 500    GLU C   3      122.05    -30.79                                   
REMARK 500    PRO C   4      159.01    -49.07                                   
REMARK 500    ASP C  47     -168.41    -70.23                                   
REMARK 500    HIS C  50       59.12    -68.99                                   
REMARK 500    TRP C  52      154.96    -47.62                                   
REMARK 500    LEU C  72      126.93    -23.25                                   
REMARK 500    PRO C  78       88.71    -66.66                                   
REMARK 500    ILE C 100      -95.59   -105.84                                   
REMARK 500    GLU C 102      172.87    -32.15                                   
REMARK 500    SER C 117        3.60    -67.09                                   
REMARK 500    GLU D   2       93.51     46.17                                   
REMARK 500    GLU D   3       97.63     77.40                                   
REMARK 500    LYS D  31     -179.79    -65.11                                   
REMARK 500    THR D  44      148.54   -174.16                                   
REMARK 500    ARG D  48      -66.04    -27.27                                   
REMARK 500    ASN D  49      -21.94    -38.44                                   
REMARK 500    LEU D  53      157.59    -36.27                                   
REMARK 500    PRO D  78       96.94    -66.05                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      51 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 GLU A  152     SER A  153                 -149.76                    
REMARK 500 SER A  153     ASN A  154                  140.50                    
REMARK 500 ASN C   49     HIS C   50                 -149.31                    
REMARK 500 GLU D    2     GLU D    3                  134.29                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA C3081  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP C  57   OD2                                                    
REMARK 620 2 ASP C  58   OD1 118.5                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA D3082  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP C  70   OD1                                                    
REMARK 620 2 ASP C  70   OD2  42.2                                              
REMARK 620 3 ALA C  76   O    67.3 109.4                                        
REMARK 620 4 ASP D  70   OD1  93.0  66.3 124.0                                  
REMARK 620 5 ALA D  76   O   150.9 109.0 141.5  73.1                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA D3081  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP D  57   OD1                                                    
REMARK 620 2 ASP D  58   OD1  78.2                                              
REMARK 620 N                    1                                               
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1CKL   RELATED DB: PDB                                   
REMARK 900 N-TERMINAL TWO DOMAINS OF HUMAN CD46 (MEMBRANE COFACTOR PROTEIN,     
REMARK 900 MCP)                                                                 
DBREF  2O39 A  129   325  UNP    P35774   FIBP_ADE1P     129    325             
DBREF  2O39 B  129   325  UNP    P35774   FIBP_ADE1P     129    325             
DBREF  2O39 C    1   126  UNP    P15529   MCP_HUMAN       35    160             
DBREF  2O39 D    1   126  UNP    P15529   MCP_HUMAN       35    160             
SEQRES   1 A  197  ASP ASN ILE ASN THR LEU TRP THR GLY VAL ASN PRO THR          
SEQRES   2 A  197  GLU ALA ASN CYS GLN ILE MET ASN SER SER GLU SER ASN          
SEQRES   3 A  197  ASP CYS LYS LEU ILE LEU THR LEU VAL LYS THR GLY ALA          
SEQRES   4 A  197  LEU VAL THR ALA PHE VAL TYR VAL ILE GLY VAL SER ASN          
SEQRES   5 A  197  ASN PHE ASN MET LEU THR THR HIS ARG ASN ILE ASN PHE          
SEQRES   6 A  197  THR ALA GLU LEU PHE PHE ASP SER THR GLY ASN LEU LEU          
SEQRES   7 A  197  THR ARG LEU SER SER LEU LYS THR PRO LEU ASN HIS LYS          
SEQRES   8 A  197  SER GLY GLN ASN MET ALA THR GLY ALA ILE THR ASN ALA          
SEQRES   9 A  197  LYS GLY PHE MET PRO SER THR THR ALA TYR PRO PHE ASN          
SEQRES  10 A  197  ASP ASN SER ARG GLU LYS GLU ASN TYR ILE TYR GLY THR          
SEQRES  11 A  197  CYS TYR TYR THR ALA SER ASP ARG THR ALA PHE PRO ILE          
SEQRES  12 A  197  ASP ILE SER VAL MET LEU ASN ARG ARG ALA ILE ASN ASP          
SEQRES  13 A  197  GLU THR SER TYR CYS ILE ARG ILE THR TRP SER TRP ASN          
SEQRES  14 A  197  THR GLY ASP ALA PRO GLU VAL GLN THR SER ALA THR THR          
SEQRES  15 A  197  LEU VAL THR SER PRO PHE THR PHE TYR TYR ILE ARG GLU          
SEQRES  16 A  197  ASP ASP                                                      
SEQRES   1 B  197  ASP ASN ILE ASN THR LEU TRP THR GLY VAL ASN PRO THR          
SEQRES   2 B  197  GLU ALA ASN CYS GLN ILE MET ASN SER SER GLU SER ASN          
SEQRES   3 B  197  ASP CYS LYS LEU ILE LEU THR LEU VAL LYS THR GLY ALA          
SEQRES   4 B  197  LEU VAL THR ALA PHE VAL TYR VAL ILE GLY VAL SER ASN          
SEQRES   5 B  197  ASN PHE ASN MET LEU THR THR HIS ARG ASN ILE ASN PHE          
SEQRES   6 B  197  THR ALA GLU LEU PHE PHE ASP SER THR GLY ASN LEU LEU          
SEQRES   7 B  197  THR ARG LEU SER SER LEU LYS THR PRO LEU ASN HIS LYS          
SEQRES   8 B  197  SER GLY GLN ASN MET ALA THR GLY ALA ILE THR ASN ALA          
SEQRES   9 B  197  LYS GLY PHE MET PRO SER THR THR ALA TYR PRO PHE ASN          
SEQRES  10 B  197  ASP ASN SER ARG GLU LYS GLU ASN TYR ILE TYR GLY THR          
SEQRES  11 B  197  CYS TYR TYR THR ALA SER ASP ARG THR ALA PHE PRO ILE          
SEQRES  12 B  197  ASP ILE SER VAL MET LEU ASN ARG ARG ALA ILE ASN ASP          
SEQRES  13 B  197  GLU THR SER TYR CYS ILE ARG ILE THR TRP SER TRP ASN          
SEQRES  14 B  197  THR GLY ASP ALA PRO GLU VAL GLN THR SER ALA THR THR          
SEQRES  15 B  197  LEU VAL THR SER PRO PHE THR PHE TYR TYR ILE ARG GLU          
SEQRES  16 B  197  ASP ASP                                                      
SEQRES   1 C  126  CYS GLU GLU PRO PRO THR PHE GLU ALA MET GLU LEU ILE          
SEQRES   2 C  126  GLY LYS PRO LYS PRO TYR TYR GLU ILE GLY GLU ARG VAL          
SEQRES   3 C  126  ASP TYR LYS CYS LYS LYS GLY TYR PHE TYR ILE PRO PRO          
SEQRES   4 C  126  LEU ALA THR HIS THR ILE CYS ASP ARG ASN HIS THR TRP          
SEQRES   5 C  126  LEU PRO VAL SER ASP ASP ALA CYS TYR ARG GLU THR CYS          
SEQRES   6 C  126  PRO TYR ILE ARG ASP PRO LEU ASN GLY GLN ALA VAL PRO          
SEQRES   7 C  126  ALA ASN GLY THR TYR GLU PHE GLY TYR GLN MET HIS PHE          
SEQRES   8 C  126  ILE CYS ASN GLU GLY TYR TYR LEU ILE GLY GLU GLU ILE          
SEQRES   9 C  126  LEU TYR CYS GLU LEU LYS GLY SER VAL ALA ILE TRP SER          
SEQRES  10 C  126  GLY LYS PRO PRO ILE CYS GLU LYS VAL                          
SEQRES   1 D  126  CYS GLU GLU PRO PRO THR PHE GLU ALA MET GLU LEU ILE          
SEQRES   2 D  126  GLY LYS PRO LYS PRO TYR TYR GLU ILE GLY GLU ARG VAL          
SEQRES   3 D  126  ASP TYR LYS CYS LYS LYS GLY TYR PHE TYR ILE PRO PRO          
SEQRES   4 D  126  LEU ALA THR HIS THR ILE CYS ASP ARG ASN HIS THR TRP          
SEQRES   5 D  126  LEU PRO VAL SER ASP ASP ALA CYS TYR ARG GLU THR CYS          
SEQRES   6 D  126  PRO TYR ILE ARG ASP PRO LEU ASN GLY GLN ALA VAL PRO          
SEQRES   7 D  126  ALA ASN GLY THR TYR GLU PHE GLY TYR GLN MET HIS PHE          
SEQRES   8 D  126  ILE CYS ASN GLU GLY TYR TYR LEU ILE GLY GLU GLU ILE          
SEQRES   9 D  126  LEU TYR CYS GLU LEU LYS GLY SER VAL ALA ILE TRP SER          
SEQRES  10 D  126  GLY LYS PRO PRO ILE CYS GLU LYS VAL                          
MODRES 2O39 ASN C   80  ASN  GLYCOSYLATION SITE                                 
MODRES 2O39 ASN D   80  ASN  GLYCOSYLATION SITE                                 
HET    NAG  E   1      14                                                       
HET    NAG  E   2      14                                                       
HET    BMA  E   3      11                                                       
HET    NAG  F   1      14                                                       
HET    NAG  F   2      14                                                       
HET    BMA  F   3      11                                                       
HET     CA  C3081       1                                                       
HET     CA  D3081       1                                                       
HET     CA  D3082       1                                                       
HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
HETNAM     BMA BETA-D-MANNOPYRANOSE                                             
HETNAM      CA CALCIUM ION                                                      
FORMUL   5  NAG    4(C8 H15 N O6)                                               
FORMUL   5  BMA    2(C6 H12 O6)                                                 
FORMUL   7   CA    3(CA 2+)                                                     
FORMUL  10  HOH   *34(H2 O)                                                     
HELIX    1   1 SER A  179  MET A  184  1                                   6    
HELIX    2   2 LEU A  185  HIS A  188  5                                   4    
HELIX    3   3 ASN A  231  MET A  236  5                                   6    
HELIX    4   4 ARG A  249  GLU A  252  5                                   4    
HELIX    5   5 SER B  179  MET B  184  1                                   6    
HELIX    6   6 LEU B  185  HIS B  188  5                                   4    
HELIX    7   7 ASN B  231  MET B  236  5                                   6    
HELIX    8   8 ARG B  249  GLU B  252  5                                   4    
SHEET    1   A 4 THR A 133  TRP A 135  0                                        
SHEET    2   A 4 CYS A 156  THR A 165 -1  O  LEU A 162   N  LEU A 134           
SHEET    3   A 4 LEU A 168  GLY A 177 -1  O  ILE A 176   N  LYS A 157           
SHEET    4   A 4 PHE A 316  ILE A 321 -1  O  PHE A 318   N  ALA A 171           
SHEET    1   B 4 ASN A 190  PHE A 199  0                                        
SHEET    2   B 4 TYR A 288  ASN A 297 -1  O  ILE A 292   N  ALA A 195           
SHEET    3   B 4 ALA A 268  LEU A 277 -1  N  ASP A 272   O  SER A 295           
SHEET    4   B 4 TYR A 254  THR A 262 -1  N  CYS A 259   O  ILE A 271           
SHEET    1   C 2 LYS A 219  SER A 220  0                                        
SHEET    2   C 2 ASN A 223  MET A 224 -1  O  ASN A 223   N  SER A 220           
SHEET    1   D 4 THR B 133  TRP B 135  0                                        
SHEET    2   D 4 CYS B 156  THR B 165 -1  O  LEU B 162   N  LEU B 134           
SHEET    3   D 4 LEU B 168  GLY B 177 -1  O  ILE B 176   N  LYS B 157           
SHEET    4   D 4 PHE B 316  ILE B 321 -1  O  PHE B 316   N  VAL B 173           
SHEET    1   E 4 ASN B 190  PHE B 199  0                                        
SHEET    2   E 4 TYR B 288  ASN B 297 -1  O  ILE B 292   N  ALA B 195           
SHEET    3   E 4 ALA B 268  LEU B 277 -1  N  ASP B 272   O  SER B 295           
SHEET    4   E 4 TYR B 254  THR B 262 -1  N  TYR B 261   O  PHE B 269           
SHEET    1   F 2 LYS B 219  SER B 220  0                                        
SHEET    2   F 2 ASN B 223  MET B 224 -1  O  ASN B 223   N  SER B 220           
SHEET    1   G 3 MET C  10  LEU C  12  0                                        
SHEET    2   G 3 ARG C  25  CYS C  30 -1  O  LYS C  29   N  GLU C  11           
SHEET    3   G 3 HIS C  43  ILE C  45 -1  O  THR C  44   N  VAL C  26           
SHEET    1   H 2 TYR C  34  TYR C  36  0                                        
SHEET    2   H 2 CYS C  60  ARG C  62 -1  O  TYR C  61   N  PHE C  35           
SHEET    1   I 4 GLY C  74  VAL C  77  0                                        
SHEET    2   I 4 TYR C  87  CYS C  93 -1  O  HIS C  90   N  VAL C  77           
SHEET    3   I 4 ILE C 104  LEU C 109 -1  O  LEU C 105   N  MET C  89           
SHEET    4   I 4 ALA C 114  TRP C 116 -1  O  ILE C 115   N  GLU C 108           
SHEET    1   J 2 TYR C  98  LEU C  99  0                                        
SHEET    2   J 2 CYS C 123  GLU C 124 -1  O  GLU C 124   N  TYR C  98           
SHEET    1   K 3 MET D  10  LEU D  12  0                                        
SHEET    2   K 3 ARG D  25  CYS D  30 -1  O  LYS D  29   N  GLU D  11           
SHEET    3   K 3 HIS D  43  ILE D  45 -1  O  THR D  44   N  VAL D  26           
SHEET    1   L 2 TYR D  34  TYR D  36  0                                        
SHEET    2   L 2 CYS D  60  ARG D  62 -1  O  TYR D  61   N  PHE D  35           
SHEET    1   M 4 GLY D  74  PRO D  78  0                                        
SHEET    2   M 4 TYR D  87  CYS D  93 -1  O  HIS D  90   N  VAL D  77           
SHEET    3   M 4 ILE D 104  LEU D 109 -1  O  LEU D 105   N  MET D  89           
SHEET    4   M 4 ALA D 114  ILE D 115 -1  O  ILE D 115   N  GLU D 108           
SHEET    1   N 2 TYR D  97  LEU D  99  0                                        
SHEET    2   N 2 CYS D 123  LYS D 125 -1  O  GLU D 124   N  TYR D  98           
SSBOND   1 CYS C    1    CYS C   46                          1555   1555  2.04  
SSBOND   2 CYS C   30    CYS C   60                          1555   1555  2.04  
SSBOND   3 CYS C   65    CYS C  107                          1555   1555  2.03  
SSBOND   4 CYS C   93    CYS C  123                          1555   1555  2.06  
SSBOND   5 CYS D    1    CYS D   46                          1555   1555  0.79  
SSBOND   6 CYS D   30    CYS D   60                          1555   1555  2.04  
SSBOND   7 CYS D   65    CYS D  107                          1555   1555  2.04  
SSBOND   8 CYS D   93    CYS D  123                          1555   1555  2.15  
LINK         ND2 ASN C  80                 C1  NAG E   1     1555   1555  1.46  
LINK         ND2 ASN D  80                 C1  NAG F   1     1555   1555  1.45  
LINK         O4  NAG E   1                 C1  NAG E   2     1555   1555  1.38  
LINK         O4  NAG E   2                 C1  BMA E   3     1555   1555  1.38  
LINK         O4  NAG F   1                 C1  NAG F   2     1555   1555  1.39  
LINK         O4  NAG F   2                 C1  BMA F   3     1555   1555  1.38  
LINK         OD2 ASP C  57                CA    CA C3081     1555   1555  2.78  
LINK         OD1 ASP C  58                CA    CA C3081     1555   1555  2.83  
LINK         OD1 ASP C  70                CA    CA D3082     1546   1555  2.69  
LINK         OD2 ASP C  70                CA    CA D3082     1546   1555  3.25  
LINK         O   ALA C  76                CA    CA D3082     1546   1555  3.04  
LINK         OD1 ASP D  57                CA    CA D3081     1555   1555  2.66  
LINK         OD1 ASP D  58                CA    CA D3081     1555   1555  3.00  
LINK         OD1 ASP D  70                CA    CA D3082     1555   1555  2.83  
LINK         O   ALA D  76                CA    CA D3082     1555   1555  2.72  
CISPEP   1 PRO C   38    PRO C   39          0        -0.64                     
CISPEP   2 PRO D   38    PRO D   39          0        -1.53                     
CRYST1  106.140  106.140   68.320  90.00  90.00 120.00 P 3           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      0.009422  0.005440  0.000000        0.00000                         
SCALE2      0.000000  0.010879  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014637        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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