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Database: PDB
Entry: 3NF1
LinkDB: 3NF1
Original site: 3NF1 
HEADER    MOTOR PROTEIN, TRANSPORT PROTEIN        09-JUN-10   3NF1              
TITLE     CRYSTAL STRUCTURE OF THE TPR DOMAIN OF KINESIN LIGHT CHAIN 1          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: KINESIN LIGHT CHAIN 1;                                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 203 TO 497;                                   
COMPND   5 SYNONYM: KLC 1;                                                      
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: KLC1, KLC, KNS2;                                               
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21-V2R-PRARE2;                           
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET28-MHL                                 
KEYWDS    KINESIN, TPR, STRUCTURAL GENOMICS CONSORTIUM (SGC), MOTOR PROTEIN,    
KEYWDS   2 TRANSPORT PROTEIN                                                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Y.TONG,W.TEMPEL,L.SHEN,Y.SHEN,L.NEDYALKOVA,C.H.ARROWSMITH,            
AUTHOR   2 A.M.EDWARDS,C.BOUNTRA,J.WEIGELT,A.BOCHKAREV,H.PARK,STRUCTURAL        
AUTHOR   3 GENOMICS CONSORTIUM (SGC)                                            
REVDAT   2   08-NOV-17 3NF1    1       REMARK                                   
REVDAT   1   25-MAY-11 3NF1    0                                                
JRNL        AUTH   Y.TONG,W.TEMPEL,L.SHEN,Y.SHEN,L.NEDYALKOVA,C.H.ARROWSMITH,   
JRNL        AUTH 2 A.M.EDWARDS,C.BOUNTRA,J.WEIGELT,A.BOCHKAREV,H.PARK           
JRNL        TITL   CRYSTAL STRUCTURE OF THE TPR DOMAIN OF KINESIN LIGHT CHAIN 1 
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : BUSTER 2.8.0                                         
REMARK   3   AUTHORS     : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER,              
REMARK   3               : PACIOREK,ROVERSI,SHARFF,SMART,VONRHEIN,              
REMARK   3               : WOMACK,MATTHEWS,TEN EYCK,TRONRUD                     
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.88                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 12597                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD           : THROUGHOUT                     
REMARK   3   FREE R VALUE TEST SET SELECTION   : THIN SHELLS (SFTOOLS)          
REMARK   3   R VALUE     (WORKING + TEST SET)  : 0.204                          
REMARK   3   R VALUE            (WORKING SET)  : 0.200                          
REMARK   3   FREE R VALUE                      : 0.273                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%)  : 4.630                          
REMARK   3   FREE R VALUE TEST SET COUNT       : 583                            
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               : 6                        
REMARK   3   BIN RESOLUTION RANGE HIGH   (ANGSTROMS) : 2.80                     
REMARK   3   BIN RESOLUTION RANGE LOW    (ANGSTROMS) : 3.07                     
REMARK   3   BIN COMPLETENESS (WORKING+TEST)     (%) : NULL                     
REMARK   3   REFLECTIONS IN BIN (WORKING + TEST SET) : 2657                     
REMARK   3   BIN R VALUE        (WORKING + TEST SET) : 0.2650                   
REMARK   3   REFLECTIONS IN BIN        (WORKING SET) : 2523                     
REMARK   3   BIN R VALUE               (WORKING SET) : 0.2640                   
REMARK   3   BIN FREE R VALUE                        : 0.2890                   
REMARK   3   BIN FREE R VALUE TEST SET SIZE      (%) : 5.04                     
REMARK   3   BIN FREE R VALUE TEST SET COUNT         : 134                      
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            : 2149                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 0                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 94.53                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 12.70800                                             
REMARK   3    B22 (A**2) : 12.70800                                             
REMARK   3    B33 (A**2) : -25.41600                                            
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT                    (A) : 0.468               
REMARK   3   DPI (BLOW EQ-10) BASED ON R VALUE        (A) : NULL                
REMARK   3   DPI (BLOW EQ-9) BASED ON FREE R VALUE    (A) : NULL                
REMARK   3   DPI (CRUICKSHANK) BASED ON R VALUE       (A) : NULL                
REMARK   3   DPI (CRUICKSHANK) BASED ON FREE R VALUE  (A) : NULL                
REMARK   3                                                                      
REMARK   3   REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797                
REMARK   3               CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601     
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.945                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.895                         
REMARK   3                                                                      
REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15                    
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.          
REMARK   3    BOND LENGTHS              : NULL   ; NULL   ; NULL                
REMARK   3    BOND ANGLES               : NULL   ; NULL   ; NULL                
REMARK   3    TORSION ANGLES            : NULL   ; NULL   ; NULL                
REMARK   3    TRIGONAL CARBON PLANES    : NULL   ; NULL   ; NULL                
REMARK   3    GENERAL PLANES            : NULL   ; NULL   ; NULL                
REMARK   3    ISOTROPIC THERMAL FACTORS : NULL   ; NULL   ; NULL                
REMARK   3    BAD NON-BONDED CONTACTS   : NULL   ; NULL   ; NULL                
REMARK   3    IMPROPER TORSIONS         : NULL   ; NULL   ; NULL                
REMARK   3    PSEUDOROTATION ANGLES     : NULL   ; NULL   ; NULL                
REMARK   3    CHIRAL IMPROPER TORSION   : NULL   ; NULL   ; NULL                
REMARK   3    SUM OF OCCUPANCIES        : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY DISTANCES         : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY ANGLES            : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY TORSION           : NULL   ; NULL   ; NULL                
REMARK   3    IDEAL-DIST CONTACT TERM   : NULL   ; NULL   ; NULL                
REMARK   3                                                                      
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.                                  
REMARK   3    BOND LENGTHS                       (A) : NULL                     
REMARK   3    BOND ANGLES                  (DEGREES) : NULL                     
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : NULL                     
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : NULL                     
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFMAC, PHENIX, COOT AND THE MOLPROBITY   
REMARK   3  SERVER WERE ALSO USED DURING REFINEMENT                             
REMARK   4                                                                      
REMARK   4 3NF1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JUN-10.                  
REMARK 100 THE DEPOSITION ID IS D_1000059747.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 18-SEP-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : CLSI                               
REMARK 200  BEAMLINE                       : 08ID-1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.92015                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MAR-300                            
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000                    
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK, HKL-2000                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 12665                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.800                              
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     (%) : 97.2                               
REMARK 200  DATA REDUNDANCY                : 8.600                              
REMARK 200  R MERGE                    (I) : 0.06800                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.90                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 78.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.58400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 3CEQ                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 68.10                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.90                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 2.0M AMMONIUM FORMATE, 0.1M HEPES,       
REMARK 280  0.001M TCEP., PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE    
REMARK 280  291K                                                                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 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+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+2/3                                           
REMARK 290       6555   -X,-X+Y,-Z+1/3                                          
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       52.05600            
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      104.11200            
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      104.11200            
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       52.05600            
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 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     MET A   187                                                      
REMARK 465     HIS A   188                                                      
REMARK 465     HIS A   189                                                      
REMARK 465     HIS A   190                                                      
REMARK 465     SER A   418                                                      
REMARK 465     VAL A   419                                                      
REMARK 465     ASP A   420                                                      
REMARK 465     ASP A   421                                                      
REMARK 465     GLU A   422                                                      
REMARK 465     ASN A   423                                                      
REMARK 465     LYS A   437                                                      
REMARK 465     GLY A   438                                                      
REMARK 465     LYS A   439                                                      
REMARK 465     GLN A   440                                                      
REMARK 465     LYS A   441                                                      
REMARK 465     ASP A   442                                                      
REMARK 465     GLY A   443                                                      
REMARK 465     GLY A   451                                                      
REMARK 465     TRP A   452                                                      
REMARK 465     TYR A   453                                                      
REMARK 465     LYS A   454                                                      
REMARK 465     ALA A   455                                                      
REMARK 465     CYS A   456                                                      
REMARK 465     LYS A   457                                                      
REMARK 465     VAL A   458                                                      
REMARK 465     ASP A   459                                                      
REMARK 465     GLN A   496                                                      
REMARK 465     GLY A   497                                                      
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     HIS A 191    CG   ND1  CD2  CE1  NE2                             
REMARK 470     HIS A 192    CG   ND1  CD2  CE1  NE2                             
REMARK 470     SER A 195    OG                                                  
REMARK 470     LYS A 245    CG   CD   CE   NZ                                   
REMARK 470     LYS A 272    CG   CD   CE   NZ                                   
REMARK 470     LYS A 291    CD   CE   NZ                                        
REMARK 470     ARG A 310    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 312    CG   CD   CE   NZ                                   
REMARK 470     LYS A 314    CG   CD   CE   NZ                                   
REMARK 470     GLU A 325    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 329    CD   CE   NZ                                        
REMARK 470     LYS A 333    CD   CE   NZ                                        
REMARK 470     LYS A 340    CD   CE   NZ                                        
REMARK 470     LYS A 372    CG   CD   CE   NZ                                   
REMARK 470     LYS A 393    CD   CE   NZ                                        
REMARK 470     ARG A 410    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 413    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 414    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 415    CD   OE1  OE2                                       
REMARK 470     LYS A 424    CG   CD   CE   NZ                                   
REMARK 470     ILE A 426    CG1  CG2  CD1                                       
REMARK 470     GLU A 432    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 433    CD   NE   CZ   NH1  NH2                             
REMARK 470     CYS A 436    SG                                                  
REMARK 470     THR A 444    OG1  CG2                                            
REMARK 470     GLU A 448    CG   CD   OE1  OE2                                  
REMARK 470     SER A 460    OG                                                  
REMARK 470     LYS A 468    CG   CD   CE   NZ                                   
REMARK 470     GLU A 481    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 488    CG   CD   OE1  OE2                                  
REMARK 470     MET A 491    SD   CE                                             
REMARK 470     SER A 493    OG                                                  
REMARK 470     LYS A 495    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    LYS A 312       50.72   -111.63                                   
REMARK 500    GLU A 448       62.22   -107.86                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  3NF1 A  203   497  UNP    Q07866   KLC1_HUMAN     203    497             
SEQADV 3NF1 MET A  187  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 HIS A  188  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 HIS A  189  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 HIS A  190  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 HIS A  191  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 HIS A  192  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 HIS A  193  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 SER A  194  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 SER A  195  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 GLY A  196  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 ARG A  197  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 GLU A  198  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 ASN A  199  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 LEU A  200  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 TYR A  201  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 PHE A  202  UNP  Q07866              EXPRESSION TAG                 
SEQADV 3NF1 GLY A  204  UNP  Q07866    GLN   204 CONFLICT                       
SEQRES   1 A  311  MET HIS HIS HIS HIS HIS HIS SER SER GLY ARG GLU ASN          
SEQRES   2 A  311  LEU TYR PHE GLN GLY GLY GLY TYR GLU ILE PRO ALA ARG          
SEQRES   3 A  311  LEU ARG THR LEU HIS ASN LEU VAL ILE GLN TYR ALA SER          
SEQRES   4 A  311  GLN GLY ARG TYR GLU VAL ALA VAL PRO LEU CYS LYS GLN          
SEQRES   5 A  311  ALA LEU GLU ASP LEU GLU LYS THR SER GLY HIS ASP HIS          
SEQRES   6 A  311  PRO ASP VAL ALA THR MET LEU ASN ILE LEU ALA LEU VAL          
SEQRES   7 A  311  TYR ARG ASP GLN ASN LYS TYR LYS ASP ALA ALA ASN LEU          
SEQRES   8 A  311  LEU ASN ASP ALA LEU ALA ILE ARG GLU LYS THR LEU GLY          
SEQRES   9 A  311  LYS ASP HIS PRO ALA VAL ALA ALA THR LEU ASN ASN LEU          
SEQRES  10 A  311  ALA VAL LEU TYR GLY LYS ARG GLY LYS TYR LYS GLU ALA          
SEQRES  11 A  311  GLU PRO LEU CYS LYS ARG ALA LEU GLU ILE ARG GLU LYS          
SEQRES  12 A  311  VAL LEU GLY LYS ASP HIS PRO ASP VAL ALA LYS GLN LEU          
SEQRES  13 A  311  ASN ASN LEU ALA LEU LEU CYS GLN ASN GLN GLY LYS TYR          
SEQRES  14 A  311  GLU GLU VAL GLU TYR TYR TYR GLN ARG ALA LEU GLU ILE          
SEQRES  15 A  311  TYR GLN THR LYS LEU GLY PRO ASP ASP PRO ASN VAL ALA          
SEQRES  16 A  311  LYS THR LYS ASN ASN LEU ALA SER CYS TYR LEU LYS GLN          
SEQRES  17 A  311  GLY LYS PHE LYS GLN ALA GLU THR LEU TYR LYS GLU ILE          
SEQRES  18 A  311  LEU THR ARG ALA HIS GLU ARG GLU PHE GLY SER VAL ASP          
SEQRES  19 A  311  ASP GLU ASN LYS PRO ILE TRP MET HIS ALA GLU GLU ARG          
SEQRES  20 A  311  GLU GLU CYS LYS GLY LYS GLN LYS ASP GLY THR SER PHE          
SEQRES  21 A  311  GLY GLU TYR GLY GLY TRP TYR LYS ALA CYS LYS VAL ASP          
SEQRES  22 A  311  SER PRO THR VAL THR THR THR LEU LYS ASN LEU GLY ALA          
SEQRES  23 A  311  LEU TYR ARG ARG GLN GLY LYS PHE GLU ALA ALA GLU THR          
SEQRES  24 A  311  LEU GLU GLU ALA ALA MET ARG SER ARG LYS GLN GLY              
HELIX    1   1 SER A  194  TYR A  201  5                                   8    
HELIX    2   2 PRO A  210  GLN A  226  1                                  17    
HELIX    3   3 ARG A  228  GLY A  248  1                                  21    
HELIX    4   4 HIS A  251  GLN A  268  1                                  18    
HELIX    5   5 LYS A  270  GLY A  290  1                                  21    
HELIX    6   6 HIS A  293  LYS A  309  1                                  17    
HELIX    7   7 LYS A  312  GLY A  332  1                                  21    
HELIX    8   8 HIS A  335  ASN A  351  1                                  17    
HELIX    9   9 LYS A  354  LYS A  372  1                                  19    
HELIX   10  10 ASP A  377  GLY A  395  1                                  19    
HELIX   11  11 LYS A  396  GLY A  417  1                                  22    
HELIX   12  12 PRO A  425  CYS A  436  1                                  12    
HELIX   13  13 SER A  460  GLY A  478  1                                  19    
HELIX   14  14 LYS A  479  LYS A  495  1                                  17    
CRYST1   74.685   74.685  156.168  90.00  90.00 120.00 P 31 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      0.013390  0.007730  0.000000        0.00000                         
SCALE2      0.000000  0.015461  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006403        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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