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Database: PDB
Entry: 3RQ7
LinkDB: 3RQ7
Original site: 3RQ7 
HEADER    TRANSFERASE/TRANSFERASE INHIBITOR       27-APR-11   3RQ7              
TITLE     POLO-LIKE KINASE 1 POLO BOX DOMAIN IN COMPLEX WITH A C6H5(CH2)8-      
TITLE    2 DERIVATIZED PEPTIDE INHIBITOR                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PLK1;                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: POLO-LIKE KINASE 1, PLK-1, SERINE/THREONINE-PROTEIN KINASE  
COMPND   5 13, STPK13;                                                          
COMPND   6 EC: 2.7.11.21;                                                       
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR;                  
COMPND  10 CHAIN: B;                                                            
COMPND  11 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: PLK1, PLK;                                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES                                                       
KEYWDS    PHOSPHOPEPTIDE BINDING DOMAIN, TRANSFERASE-TRANSFERASE INHIBITOR      
KEYWDS   2 COMPLEX                                                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    F.LIU,J.-E.PARK,W.-J.QIAN,D.C.LIM,M.GRABER,T.BERG,M.B.YAFFE,K.S.LEE,  
AUTHOR   2 T.R.BURKE JR.                                                        
REVDAT   4   10-OCT-12 3RQ7    1       SEQRES HET    HETNAM FORMUL              
REVDAT   4 2                   1       HETATM LINK   REMARK                     
REVDAT   3   31-AUG-11 3RQ7    1       JRNL                                     
REVDAT   2   03-AUG-11 3RQ7    1       JRNL                                     
REVDAT   1   20-JUL-11 3RQ7    0                                                
JRNL        AUTH   F.LIU,J.E.PARK,W.J.QIAN,D.LIM,M.GRABER,T.BERG,M.B.YAFFE,     
JRNL        AUTH 2 K.S.LEE,T.R.BURKE                                            
JRNL        TITL   SERENDIPITOUS ALKYLATION OF A PLK1 LIGAND UNCOVERS A NEW     
JRNL        TITL 2 BINDING CHANNEL.                                             
JRNL        REF    NAT.CHEM.BIOL.                V.   7   595 2011              
JRNL        REFN                   ISSN 1552-4450                               
JRNL        PMID   21765407                                                     
JRNL        DOI    10.1038/NCHEMBIO.614                                         
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.55 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE)                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.55                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 14.80                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.080                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 29160                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.154                           
REMARK   3   R VALUE            (WORKING SET) : 0.152                           
REMARK   3   FREE R VALUE                     : 0.190                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.990                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1454                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 14.8151 -  3.3279    1.00     2868   151  0.1630 0.1587        
REMARK   3     2  3.3279 -  2.6464    0.99     2813   149  0.1370 0.1829        
REMARK   3     3  2.6464 -  2.3133    0.99     2793   148  0.1405 0.1808        
REMARK   3     4  2.3133 -  2.1024    1.00     2803   146  0.1327 0.1975        
REMARK   3     5  2.1024 -  1.9521    1.00     2797   149  0.1322 0.1786        
REMARK   3     6  1.9521 -  1.8372    0.99     2760   144  0.1468 0.2238        
REMARK   3     7  1.8372 -  1.7453    0.99     2790   145  0.1476 0.2321        
REMARK   3     8  1.7453 -  1.6695    0.98     2746   143  0.1541 0.2123        
REMARK   3     9  1.6695 -  1.6053    0.98     2717   143  0.1587 0.2240        
REMARK   3    10  1.6053 -  1.5500    0.94     2619   136  0.1755 0.2449        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : 0.50                                          
REMARK   3   B_SOL              : 67.20                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : -0.000           
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.980           
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) : 0.00000                                              
REMARK   3    B22 (A**2) : 0.00000                                              
REMARK   3    B33 (A**2) : 0.00000                                              
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  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.012           3704                                  
REMARK   3   ANGLE     :  1.665           6686                                  
REMARK   3   CHIRALITY :  0.097            273                                  
REMARK   3   PLANARITY :  0.013            536                                  
REMARK   3   DIHEDRAL  : 17.020            981                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3RQ7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-MAY-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB065242.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 30-SEP-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU MICROMAX-007 HF             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : OSMIC MIRRORS                      
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV++                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 29160                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.550                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 14.814                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 4.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.55                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.61                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 33.57                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.85                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PBD PROTEIN AT 12 MG/ML IN 10 MM TRIS,   
REMARK 280  PH 8.0, 0.5 M NACL, 10 MM DTT, 2% DMSO AND 2 MM COMPOUND 4J WAS     
REMARK 280  MIXED WITH AN EQUAL VOLUME OF RESERVOIR SOLUTION CONSISTING OF      
REMARK 280  15% (W/V) PEG 3350, 0.1 M GLYCINE, PH 9.0, 300 MM NACL, VAPOR       
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 298K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       25.60500            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1390 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10660 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -10.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400                                                                      
REMARK 400 THE C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR IS POLYPEPTIDE, A       
REMARK 400 MEMBER OF ENZYME INHIBITOR CLASS.                                    
REMARK 400                                                                      
REMARK 400  GROUP: 1                                                            
REMARK 400   NAME: C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR                     
REMARK 400   CHAIN: B                                                           
REMARK 400   COMPONENT_1: PEPTIDE LIKE POLYMER                                  
REMARK 400   DESCRIPTION: NULL                                                  
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     GLY A   367                                                      
REMARK 465     ALA A   368                                                      
REMARK 465     HIS A   369                                                      
REMARK 465     MET A   370                                                      
REMARK 465     ASP A   371                                                      
REMARK 465     CYS A   372                                                      
REMARK 465     ASN A   496                                                      
REMARK 465     ILE A   497                                                      
REMARK 465     THR A   498                                                      
REMARK 465     GLU A   501                                                      
REMARK 465     GLY A   502                                                      
REMARK 465     ASP A   503                                                      
REMARK 465     GLU A   504                                                      
REMARK 465     LEU A   505                                                      
REMARK 465     ALA A   506                                                      
REMARK 465     ARG A   507                                                      
REMARK 465     SER A   595                                                      
REMARK 465     ALA A   596                                                      
REMARK 465     SER A   597                                                      
REMARK 465     ASN A   598                                                      
REMARK 465     ARG A   599                                                      
REMARK 465     LEU A   600                                                      
REMARK 465     LYS A   601                                                      
REMARK 465     ALA A   602                                                      
REMARK 465     SER A   603                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
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   O    HOH A   878     O    HOH A   898              1.89            
REMARK 500   O    HOH A   982     O    HOH A   987              1.93            
REMARK 500   N    LEU A   508     O    HOH A   986              2.01            
REMARK 500   O    HOH B   114     O    HOH B   115              2.01            
REMARK 500   O    HOH A   895     O    HOH A   896              2.05            
REMARK 500   O    HOH B   109     O    HOH B   116              2.09            
REMARK 500   O    HOH A   725     O    HOH A   876              2.13            
REMARK 500   O    HOH A   793     O    HOH A   797              2.14            
REMARK 500   O    HOH A   894     O    HOH A   932              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG A 516   NE  -  CZ  -  NH1 ANGL. DEV. =   4.2 DEGREES          
REMARK 500    ARG A 516   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.4 DEGREES          
REMARK 500    ARG A 557   NE  -  CZ  -  NH1 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500    ARG A 584   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 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    ARG A 392     -130.08   -121.75                                   
REMARK 500    TYR A 421      -51.38   -122.73                                   
REMARK 500    ASP A 449      -36.72   -135.05                                   
REMARK 500    LEU A 463     -169.93   -165.87                                   
REMARK 500    LEU A 490      154.65     79.36                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1Q4K   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1UMW   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3BZI   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3FVH   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3HIK   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3C5L   RELATED DB: PDB                                   
DBREF  3RQ7 A  371   603  UNP    P53350   PLK1_HUMAN     371    603             
DBREF  3RQ7 B    1     7  PDB    3RQ7     3RQ7             1      7             
SEQADV 3RQ7 GLY A  367  UNP  P53350              EXPRESSION TAG                 
SEQADV 3RQ7 ALA A  368  UNP  P53350              EXPRESSION TAG                 
SEQADV 3RQ7 HIS A  369  UNP  P53350              EXPRESSION TAG                 
SEQADV 3RQ7 MET A  370  UNP  P53350              EXPRESSION TAG                 
SEQRES   1 A  237  GLY ALA HIS MET ASP CYS HIS LEU SER ASP MET LEU GLN          
SEQRES   2 A  237  GLN LEU HIS SER VAL ASN ALA SER LYS PRO SER GLU ARG          
SEQRES   3 A  237  GLY LEU VAL ARG GLN GLU GLU ALA GLU ASP PRO ALA CYS          
SEQRES   4 A  237  ILE PRO ILE PHE TRP VAL SER LYS TRP VAL ASP TYR SER          
SEQRES   5 A  237  ASP LYS TYR GLY LEU GLY TYR GLN LEU CYS ASP ASN SER          
SEQRES   6 A  237  VAL GLY VAL LEU PHE ASN ASP SER THR ARG LEU ILE LEU          
SEQRES   7 A  237  TYR ASN ASP GLY ASP SER LEU GLN TYR ILE GLU ARG ASP          
SEQRES   8 A  237  GLY THR GLU SER TYR LEU THR VAL SER SER HIS PRO ASN          
SEQRES   9 A  237  SER LEU MET LYS LYS ILE THR LEU LEU LYS TYR PHE ARG          
SEQRES  10 A  237  ASN TYR MET SER GLU HIS LEU LEU LYS ALA GLY ALA ASN          
SEQRES  11 A  237  ILE THR PRO ARG GLU GLY ASP GLU LEU ALA ARG LEU PRO          
SEQRES  12 A  237  TYR LEU ARG THR TRP PHE ARG THR ARG SER ALA ILE ILE          
SEQRES  13 A  237  LEU HIS LEU SER ASN GLY SER VAL GLN ILE ASN PHE PHE          
SEQRES  14 A  237  GLN ASP HIS THR LYS LEU ILE LEU CYS PRO LEU MET ALA          
SEQRES  15 A  237  ALA VAL THR TYR ILE ASP GLU LYS ARG ASP PHE ARG THR          
SEQRES  16 A  237  TYR ARG LEU SER LEU LEU GLU GLU TYR GLY CYS CYS LYS          
SEQRES  17 A  237  GLU LEU ALA SER ARG LEU ARG TYR ALA ARG THR MET VAL          
SEQRES  18 A  237  ASP LYS LEU LEU SER SER ARG SER ALA SER ASN ARG LEU          
SEQRES  19 A  237  LYS ALA SER                                                  
SEQRES   1 B    7  ACE PRO LEU 56A SER TPO NH2                                  
MODRES 3RQ7 56A B    4  HIS  3-(8-PHENYLOCTYL)-L-HISTIDINE                      
MODRES 3RQ7 TPO B    6  THR  PHOSPHOTHREONINE                                   
HET    ACE  B   1       3                                                       
HET    56A  B   4      24                                                       
HET    TPO  B   6      11                                                       
HET    NH2  B   7       1                                                       
HETNAM     ACE ACETYL GROUP                                                     
HETNAM     56A 3-(8-PHENYLOCTYL)-L-HISTIDINE                                    
HETNAM     TPO PHOSPHOTHREONINE                                                 
HETNAM     NH2 AMINO GROUP                                                      
HETSYN     TPO PHOSPHONOTHREONINE                                               
FORMUL   2  ACE    C2 H4 O                                                      
FORMUL   2  56A    C20 H29 N3 O2                                                
FORMUL   2  TPO    C4 H10 N O6 P                                                
FORMUL   2  NH2    H2 N                                                         
FORMUL   3  HOH   *304(H2 O)                                                    
HELIX    1   1 HIS A  373  SER A  387  1                                  15    
HELIX    2   2 ARG A  396  GLU A  401  5                                   6    
HELIX    3   3 ASP A  402  ILE A  406  5                                   5    
HELIX    4   4 PRO A  469  SER A  471  5                                   3    
HELIX    5   5 LEU A  472  HIS A  489  1                                  18    
HELIX    6   6 LEU A  564  GLY A  571  1                                   8    
HELIX    7   7 CYS A  573  SER A  593  1                                  21    
SHEET    1   A 6 VAL A 411  ASP A 416  0                                        
SHEET    2   A 6 GLY A 422  LEU A 427 -1  O  GLY A 424   N  VAL A 415           
SHEET    3   A 6 VAL A 432  PHE A 436 -1  O  GLY A 433   N  TYR A 425           
SHEET    4   A 6 ARG A 441  LEU A 444 -1  O  LEU A 444   N  VAL A 432           
SHEET    5   A 6 SER A 450  ILE A 454 -1  O  GLN A 452   N  ILE A 443           
SHEET    6   A 6 GLU A 460  THR A 464 -1  O  SER A 461   N  TYR A 453           
SHEET    1   B 6 LEU A 511  ARG A 516  0                                        
SHEET    2   B 6 ALA A 520  LEU A 525 -1  O  HIS A 524   N  THR A 513           
SHEET    3   B 6 VAL A 530  PHE A 534 -1  O  GLN A 531   N  LEU A 523           
SHEET    4   B 6 LYS A 540  CYS A 544 -1  O  LEU A 543   N  VAL A 530           
SHEET    5   B 6 ALA A 549  ILE A 553 -1  O  THR A 551   N  ILE A 542           
SHEET    6   B 6 PHE A 559  ARG A 563 -1  O  TYR A 562   N  VAL A 550           
LINK         C   ACE B   1                 N   PRO B   2     1555   1555  1.34  
LINK         C   LEU B   3                 N   56A B   4     1555   1555  1.33  
LINK         C   56A B   4                 N   SER B   5     1555   1555  1.34  
LINK         C   SER B   5                 N   TPO B   6     1555   1555  1.34  
LINK         C   TPO B   6                 N   NH2 B   7     1555   1555  1.35  
CRYST1   35.337   51.210   57.963  90.00 101.00  90.00 P 1 21 1      2          
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      0.028299  0.000000  0.005498        0.00000                         
SCALE2      0.000000  0.019527  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.017575        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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