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Database: PDB
Entry: 1CCF
LinkDB: 1CCF
Original site: 1CCF 
HEADER    COAGULATION FACTOR                      19-MAY-93   1CCF              
TITLE     HOW AN EPIDERMAL GROWTH FACTOR (EGF)-LIKE DOMAIN BINDS CALCIUM-HIGH   
TITLE    2 RESOLUTION NMR STRUCTURE OF THE CALCIUM FORM OF THE NH2-TERMINAL EGF-
TITLE    3 LIKE DOMAIN IN COAGULATION FACTOR X                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: COAGULATION FACTOR X;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
SOURCE   3 ORGANISM_TAXID: 9913                                                 
KEYWDS    COAGULATION FACTOR                                                    
EXPDTA    SOLUTION NMR                                                          
NUMMDL    15                                                                    
AUTHOR    M.SELANDER-SUNNERHAGEN,M.ULLNER,M.PERSSON,O.TELEMAN,J.STENFLO,        
AUTHOR   2 T.DRAKENBERG                                                         
REVDAT   4   16-AUG-17 1CCF    1       COMPND REMARK SEQRES HET                 
REVDAT   4 2                   1       HETNAM FORMUL HELIX  SHEET               
REVDAT   4 3                   1       LINK   ATOM                              
REVDAT   3   24-FEB-09 1CCF    1       VERSN                                    
REVDAT   2   01-APR-03 1CCF    1       JRNL                                     
REVDAT   1   31-MAY-94 1CCF    0                                                
JRNL        AUTH   M.SELANDER-SUNNERHAGEN,M.ULLNER,E.PERSSON,O.TELEMAN,         
JRNL        AUTH 2 J.STENFLO,T.DRAKENBERG                                       
JRNL        TITL   HOW AN EPIDERMAL GROWTH FACTOR (EGF)-LIKE DOMAIN BINDS       
JRNL        TITL 2 CALCIUM. HIGH RESOLUTION NMR STRUCTURE OF THE CALCIUM FORM   
JRNL        TITL 3 OF THE NH2-TERMINAL EGF-LIKE DOMAIN IN COAGULATION FACTOR X. 
JRNL        REF    J.BIOL.CHEM.                  V. 267 19642 1992              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   1527084                                                      
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   M.ULLNER,M.SELANDER,E.PERSSON,J.STENFLO,O.TELEMAN,           
REMARK   1  AUTH 2 T.DRAKENBERG                                                 
REMARK   1  TITL   THREE-DIMENSIONAL STRUCTURE OF THE APO FORM OF THE           
REMARK   1  TITL 2 N-TERMINAL EGF-LIKE MODULE OF BLOOD COAGULATION FACTOR X AS  
REMARK   1  TITL 3 DETERMINED BY NMR SPECTROSCOPY AND SIMULATED FOLDING         
REMARK   1  REF    BIOCHEMISTRY                  V.  31  5974 1992              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   M.SELANDER,E.PERSSON,J.STENFLO,T.DRAKENBERG                  
REMARK   1  TITL   1H NMR ASSIGNMENT AND SECONDARY STRUCTURE OF THE CA2+-FREE   
REMARK   1  TITL 2 FORM OF THE AMINO-TERMINAL EPIDERMAL GROWTH FACTOR LIKE      
REMARK   1  TITL 3 DOMAIN IN COAGULATION FACTOR X                               
REMARK   1  REF    BIOCHEMISTRY                  V.  29  8111 1990              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   1 REFERENCE 3                                                          
REMARK   1  AUTH   M.SELANDER,E.PERSSON,T.DRAKENBERG,S.LINSE                    
REMARK   1  TITL   CALCIUM BINDING TO THE ISOLATED BETA-HYDROXYASPARTIC         
REMARK   1  TITL 2 ACID-CONTAINING EPIDERMAL GROWTH FACTOR-LIKE DOMAIN OF THE   
REMARK   1  TITL 3 BOVINE FACTOR X                                              
REMARK   1  REF    J.BIOL.CHEM.                  V. 264 16897 1989              
REMARK   1  REFN                   ISSN 0021-9258                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : NULL                                                 
REMARK   3   AUTHORS     : NULL                                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1CCF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 100 THE DEPOSITION ID IS D_1000172227.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : NULL                               
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NULL                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : NULL                               
REMARK 210  SPECTROMETER MODEL             : NULL                               
REMARK 210  SPECTROMETER MANUFACTURER      : NULL                               
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : NULL                               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 15                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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 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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   H    HIS A    60     O    THR A    71              1.58            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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  1 HIS A  53   CG    HIS A  53   ND1    -0.103                       
REMARK 500  1 HIS A  60   CG    HIS A  60   ND1    -0.096                       
REMARK 500  2 HIS A  53   CG    HIS A  53   ND1    -0.099                       
REMARK 500  2 HIS A  60   CG    HIS A  60   ND1    -0.098                       
REMARK 500  3 HIS A  53   CG    HIS A  53   ND1    -0.091                       
REMARK 500  3 HIS A  60   CG    HIS A  60   ND1    -0.094                       
REMARK 500  3 ARG A  86   NE    ARG A  86   CZ      0.112                       
REMARK 500  3 ARG A  86   CZ    ARG A  86   NH1    -0.081                       
REMARK 500  4 HIS A  53   CG    HIS A  53   ND1    -0.095                       
REMARK 500  4 HIS A  60   CG    HIS A  60   ND1    -0.098                       
REMARK 500  5 HIS A  53   CG    HIS A  53   ND1    -0.112                       
REMARK 500  5 HIS A  60   CG    HIS A  60   ND1    -0.097                       
REMARK 500  6 HIS A  53   CG    HIS A  53   ND1    -0.117                       
REMARK 500  6 HIS A  60   CG    HIS A  60   ND1    -0.110                       
REMARK 500  7 HIS A  53   CG    HIS A  53   ND1    -0.108                       
REMARK 500  8 HIS A  53   CG    HIS A  53   ND1    -0.093                       
REMARK 500  8 HIS A  60   CG    HIS A  60   ND1    -0.099                       
REMARK 500  9 HIS A  53   CG    HIS A  53   ND1    -0.091                       
REMARK 500  9 HIS A  60   CG    HIS A  60   ND1    -0.106                       
REMARK 500 10 HIS A  53   CG    HIS A  53   ND1    -0.106                       
REMARK 500 10 HIS A  60   CG    HIS A  60   ND1    -0.111                       
REMARK 500 11 HIS A  60   CG    HIS A  60   ND1    -0.093                       
REMARK 500 11 PHE A  83   CG    PHE A  83   CD1    -0.118                       
REMARK 500 12 ASP A  46   CG    ASP A  46   OD2    -0.151                       
REMARK 500 12 GLY A  47   N     GLY A  47   CA      0.098                       
REMARK 500 12 HIS A  53   CG    HIS A  53   ND1    -0.106                       
REMARK 500 12 HIS A  60   CG    HIS A  60   ND1    -0.099                       
REMARK 500 13 HIS A  53   CG    HIS A  53   ND1    -0.104                       
REMARK 500 13 HIS A  60   CB    HIS A  60   CG      0.123                       
REMARK 500 13 HIS A  60   CG    HIS A  60   ND1    -0.103                       
REMARK 500 14 HIS A  53   CG    HIS A  53   ND1    -0.106                       
REMARK 500 14 HIS A  60   CG    HIS A  60   ND1    -0.120                       
REMARK 500 15 HIS A  53   CG    HIS A  53   ND1    -0.090                       
REMARK 500 15 HIS A  60   CG    HIS A  60   ND1    -0.107                       
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  1 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   8.5 DEGREES          
REMARK 500  1 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   8.8 DEGREES          
REMARK 500  2 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   8.7 DEGREES          
REMARK 500  2 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   9.5 DEGREES          
REMARK 500  3 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   8.7 DEGREES          
REMARK 500  3 ARG A  86   NH1 -  CZ  -  NH2 ANGL. DEV. =   6.9 DEGREES          
REMARK 500  3 ARG A  86   NE  -  CZ  -  NH1 ANGL. DEV. =  -3.0 DEGREES          
REMARK 500  3 ARG A  86   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.9 DEGREES          
REMARK 500  4 HIS A  53   CB  -  CG  -  ND1 ANGL. DEV. =  -7.9 DEGREES          
REMARK 500  4 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   9.6 DEGREES          
REMARK 500  5 ASP A  46   CB  -  CG  -  OD1 ANGL. DEV. =  -6.8 DEGREES          
REMARK 500  5 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   9.1 DEGREES          
REMARK 500  5 ARG A  86   NE  -  CZ  -  NH1 ANGL. DEV. =  -3.8 DEGREES          
REMARK 500  6 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   9.1 DEGREES          
REMARK 500  6 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   8.4 DEGREES          
REMARK 500  7 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   8.8 DEGREES          
REMARK 500  7 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   8.8 DEGREES          
REMARK 500  7 HIS A  60   CB  -  CG  -  ND1 ANGL. DEV. =  -8.3 DEGREES          
REMARK 500  7 GLU A  82   OE1 -  CD  -  OE2 ANGL. DEV. =   7.2 DEGREES          
REMARK 500  8 HIS A  60   CB  -  CG  -  ND1 ANGL. DEV. =  -9.3 DEGREES          
REMARK 500  9 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   9.0 DEGREES          
REMARK 500  9 ARG A  86   NE  -  CZ  -  NH1 ANGL. DEV. =  -3.5 DEGREES          
REMARK 500 10 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   8.6 DEGREES          
REMARK 500 10 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   8.6 DEGREES          
REMARK 500 11 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   8.5 DEGREES          
REMARK 500 11 PHE A  83   CB  -  CG  -  CD1 ANGL. DEV. = -14.8 DEGREES          
REMARK 500 12 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   9.2 DEGREES          
REMARK 500 13 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   9.2 DEGREES          
REMARK 500 13 HIS A  60   N   -  CA  -  CB  ANGL. DEV. = -11.2 DEGREES          
REMARK 500 13 ARG A  86   NE  -  CZ  -  NH1 ANGL. DEV. =  -5.8 DEGREES          
REMARK 500 14 HIS A  53   ND1 -  CG  -  CD2 ANGL. DEV. =   8.8 DEGREES          
REMARK 500 14 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   9.4 DEGREES          
REMARK 500 14 ARG A  86   NE  -  CZ  -  NH1 ANGL. DEV. =  -3.6 DEGREES          
REMARK 500 14 ARG A  86   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 DEGREES          
REMARK 500 15 HIS A  60   ND1 -  CG  -  CD2 ANGL. DEV. =   9.1 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  1 ASP A  46       72.05   -106.47                                   
REMARK 500  1 HIS A  53       73.94     48.86                                   
REMARK 500  1 ASN A  57       68.57     34.27                                   
REMARK 500  1 GLN A  58       54.09     36.51                                   
REMARK 500  1 ILE A  65       55.65   -114.30                                   
REMARK 500  1 TYR A  68      179.04     39.68                                   
REMARK 500  1 THR A  85       38.23    -86.90                                   
REMARK 500  2 GLU A  51       26.09    -71.97                                   
REMARK 500  2 HIS A  53       72.97     40.66                                   
REMARK 500  2 ASN A  57       60.73     27.81                                   
REMARK 500  2 GLN A  58       73.05     66.87                                   
REMARK 500  2 GLU A  77       -0.69   -158.18                                   
REMARK 500  2 THR A  85       35.93    -92.71                                   
REMARK 500  3 GLU A  51       30.37    -74.25                                   
REMARK 500  3 HIS A  53       76.37     43.62                                   
REMARK 500  3 ASN A  57       60.04     36.99                                   
REMARK 500  3 BH2 A  63      173.20     40.12                                   
REMARK 500  3 CYS A  81       39.25     76.87                                   
REMARK 500  3 SER A  84      174.33    164.36                                   
REMARK 500  4 GLN A  49       33.92     31.79                                   
REMARK 500  4 CYS A  50       27.00   -166.87                                   
REMARK 500  4 GLU A  51       24.23    -76.18                                   
REMARK 500  4 HIS A  53       78.37     42.79                                   
REMARK 500  4 ASN A  57       57.29     33.76                                   
REMARK 500  4 CYS A  81       43.66     79.57                                   
REMARK 500  4 SER A  84      175.82    166.47                                   
REMARK 500  5 CYS A  50       22.80   -140.37                                   
REMARK 500  5 GLU A  51       30.20    -73.79                                   
REMARK 500  5 HIS A  53       71.39     48.44                                   
REMARK 500  5 ASN A  57       63.73     34.28                                   
REMARK 500  5 CYS A  81       72.58     79.91                                   
REMARK 500  5 SER A  84      116.23     41.38                                   
REMARK 500  5 THR A  85       39.74    163.82                                   
REMARK 500  6 HIS A  53       71.06     45.43                                   
REMARK 500  6 ASN A  57       63.42     29.81                                   
REMARK 500  6 CYS A  81       32.51     76.73                                   
REMARK 500  6 THR A  85       53.90     32.58                                   
REMARK 500  7 HIS A  53       74.70     44.07                                   
REMARK 500  7 ASN A  57       62.41     33.81                                   
REMARK 500  7 GLU A  74       94.19    -68.48                                   
REMARK 500  7 CYS A  81       43.04     81.47                                   
REMARK 500  7 THR A  85       51.90     27.78                                   
REMARK 500  8 GLU A  51       20.17    -72.99                                   
REMARK 500  8 HIS A  53       84.13     49.62                                   
REMARK 500  8 GLU A  74       97.64    -64.22                                   
REMARK 500  9 GLU A  51       20.91    -74.94                                   
REMARK 500  9 ASN A  57       61.83     32.68                                   
REMARK 500  9 CYS A  81       40.80     76.53                                   
REMARK 500  9 SER A  84      173.63    164.77                                   
REMARK 500 10 GLU A  51       33.21    -74.98                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      83 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 PHE A   83     SER A   84          3      -143.53                    
REMARK 500 SER A   84     THR A   85          3       148.06                    
REMARK 500 PHE A   83     SER A   84          4      -146.60                    
REMARK 500 SER A   84     THR A   85          4       148.79                    
REMARK 500 SER A   84     THR A   85          5      -148.66                    
REMARK 500 PHE A   83     SER A   84          9      -145.10                    
REMARK 500 SER A   84     THR A   85          9       147.72                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 HIS A  53         0.15    SIDE CHAIN                              
REMARK 500  1 HIS A  60         0.15    SIDE CHAIN                              
REMARK 500  2 HIS A  53         0.12    SIDE CHAIN                              
REMARK 500  2 HIS A  60         0.13    SIDE CHAIN                              
REMARK 500  3 HIS A  53         0.15    SIDE CHAIN                              
REMARK 500  3 HIS A  60         0.15    SIDE CHAIN                              
REMARK 500  3 PHE A  76         0.11    SIDE CHAIN                              
REMARK 500  4 HIS A  53         0.16    SIDE CHAIN                              
REMARK 500  4 HIS A  60         0.16    SIDE CHAIN                              
REMARK 500  4 PHE A  76         0.11    SIDE CHAIN                              
REMARK 500  5 HIS A  53         0.16    SIDE CHAIN                              
REMARK 500  5 HIS A  60         0.17    SIDE CHAIN                              
REMARK 500  5 PHE A  76         0.17    SIDE CHAIN                              
REMARK 500  6 HIS A  53         0.16    SIDE CHAIN                              
REMARK 500  6 HIS A  60         0.14    SIDE CHAIN                              
REMARK 500  7 HIS A  53         0.14    SIDE CHAIN                              
REMARK 500  7 HIS A  60         0.17    SIDE CHAIN                              
REMARK 500  8 HIS A  53         0.16    SIDE CHAIN                              
REMARK 500  8 ASN A  57         0.09    SIDE CHAIN                              
REMARK 500  8 HIS A  60         0.19    SIDE CHAIN                              
REMARK 500  8 TYR A  68         0.09    SIDE CHAIN                              
REMARK 500  9 HIS A  53         0.17    SIDE CHAIN                              
REMARK 500  9 HIS A  60         0.16    SIDE CHAIN                              
REMARK 500  9 PHE A  76         0.10    SIDE CHAIN                              
REMARK 500 10 HIS A  53         0.18    SIDE CHAIN                              
REMARK 500 10 HIS A  60         0.14    SIDE CHAIN                              
REMARK 500 11 HIS A  53         0.17    SIDE CHAIN                              
REMARK 500 11 HIS A  60         0.17    SIDE CHAIN                              
REMARK 500 11 PHE A  83         0.31    SIDE CHAIN                              
REMARK 500 12 HIS A  53         0.15    SIDE CHAIN                              
REMARK 500 12 HIS A  60         0.13    SIDE CHAIN                              
REMARK 500 13 HIS A  53         0.16    SIDE CHAIN                              
REMARK 500 13 HIS A  60         0.12    SIDE CHAIN                              
REMARK 500 14 HIS A  53         0.16    SIDE CHAIN                              
REMARK 500 14 HIS A  60         0.15    SIDE CHAIN                              
REMARK 500 15 HIS A  53         0.15    SIDE CHAIN                              
REMARK 500 15 HIS A  60         0.15    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500  5 SER A  84         10.88                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1CCF A   45    86  UNP    P00743   FA10_BOVIN      85    126             
SEQRES   1 A   42  LYS ASP GLY ASP GLN CYS GLU GLY HIS PRO CYS LEU ASN          
SEQRES   2 A   42  GLN GLY HIS CYS LYS BH2 GLY ILE GLY ASP TYR THR CYS          
SEQRES   3 A   42  THR CYS ALA GLU GLY PHE GLU GLY LYS ASN CYS GLU PHE          
SEQRES   4 A   42  SER THR ARG                                                  
MODRES 1CCF BH2 A   63  ASP  (3R)-3-HYDROXY-L-ALPHA-ASPARAGINE                  
HET    BH2  A  63      13                                                       
HETNAM     BH2 (3R)-3-HYDROXY-L-ASPARTIC ACID                                   
FORMUL   1  BH2    C4 H7 N O5                                                   
SHEET    1  S1 2 GLY A  59  BH2 A  63  0                                        
SHEET    2  S1 2 TYR A  68  CYS A  72 -1                                        
SHEET    1  S2 2 PHE A  76  GLU A  77  0                                        
SHEET    2  S2 2 PHE A  83  SER A  84 -1                                        
SSBOND   1 CYS A   50    CYS A   61                          1555   1555  2.05  
SSBOND   2 CYS A   55    CYS A   70                          1555   1555  2.47  
SSBOND   3 CYS A   72    CYS A   81                          1555   1555  2.47  
LINK         C   LYS A  62                 N   BH2 A  63     1555   1555  1.33  
LINK         C   BH2 A  63                 N   GLY A  64     1555   1555  1.32  
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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