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Database: PDB
Entry: 3TE3
LinkDB: 3TE3
Original site: 3TE3 
HEADER    METAL TRANSPORT                         11-AUG-11   3TE3              
TITLE     COILED-COIL OLIGOMERIZATION DOMAIN OF THE POLYCYSTIN TRANSIENT        
TITLE    2 RECEPTOR POTENTIAL CHANNEL PKD2L1                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: POLYCYSTIC KIDNEY DISEASE 2-LIKE 1 PROTEIN;                
COMPND   3 CHAIN: A, B, C, D, E, F;                                             
COMPND   4 FRAGMENT: UNP RESIDUES 699-737;                                      
COMPND   5 SYNONYM: POLYCYSTIN-2 HOMOLOG, POLYCYSTIN-2L1, POLYCYSTIN-L,         
COMPND   6 POLYCYSTIN-L1;                                                       
COMPND   7 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: PKD2L1, PKD2L, PKDL;                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21PLYSS;                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMIND;                             
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PEV-L8                                    
KEYWDS    TRIMERIC COILED-COIL, OLIGOMERIZATION DOMAIN, C-TERMINAL CYTOPLASMIC  
KEYWDS   2 REGULATORY DOMAIN, METAL TRANSPORT                                   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    D.A.YERNOOL,K.M.MOLLAND                                               
REVDAT   3   08-NOV-17 3TE3    1       AUTHOR REMARK                            
REVDAT   2   08-FEB-12 3TE3    1       JRNL                                     
REVDAT   1   18-JAN-12 3TE3    0                                                
JRNL        AUTH   K.L.MOLLAND,L.N.PAUL,D.A.YERNOOL                             
JRNL        TITL   CRYSTAL STRUCTURE AND CHARACTERIZATION OF COILED-COIL DOMAIN 
JRNL        TITL 2 OF THE TRANSIENT RECEPTOR POTENTIAL CHANNEL PKD2L1.          
JRNL        REF    BIOCHIM.BIOPHYS.ACTA          V.1824   413 2011              
JRNL        REFN                   ISSN 0006-3002                               
JRNL        PMID   22193359                                                     
JRNL        DOI    10.1016/J.BBAPAP.2011.12.002                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.69 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.7_650)                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.69                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.09                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 8840                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.255                           
REMARK   3   R VALUE            (WORKING SET) : 0.253                           
REMARK   3   FREE R VALUE                     : 0.290                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.720                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 417                             
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 29.0928 -  3.8831    1.00     3019   143  0.2655 0.2781        
REMARK   3     2  3.8831 -  3.0833    0.98     2799   122  0.2225 0.3057        
REMARK   3     3  3.0833 -  2.6940    0.94     2605   152  0.2626 0.3046        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.00                                          
REMARK   3   SHRINKAGE RADIUS   : 0.72                                          
REMARK   3   K_SOL              : 0.35                                          
REMARK   3   B_SOL              : 66.89                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.420            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.870           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 57.17                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 57.17                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 5.85460                                              
REMARK   3    B22 (A**2) : 5.85460                                              
REMARK   3    B33 (A**2) : -11.70920                                            
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      :  0.022           1711                                  
REMARK   3   ANGLE     :  1.121           2115                                  
REMARK   3   CHIRALITY :  0.067            261                                  
REMARK   3   PLANARITY :  0.004            268                                  
REMARK   3   DIHEDRAL  : 18.113            539                                  
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 3TE3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-AUG-11.                  
REMARK 100 THE DEPOSITION ID IS D_1000067368.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 14-AUG-10                          
REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 21-ID-G                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97857                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 300 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 8840                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.690                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : 11.30                              
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) : 2.69                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
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: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.20                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.87                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/6                                            
REMARK 290       6555   X-Y,X,Z+5/6                                             
REMARK 290       7555   Y,X,-Z+2/3                                              
REMARK 290       8555   X-Y,-Y,-Z                                               
REMARK 290       9555   -X,-X+Y,-Z+1/3                                          
REMARK 290      10555   -Y,-X,-Z+1/6                                            
REMARK 290      11555   -X+Y,Y,-Z+1/2                                           
REMARK 290      12555   X,X-Y,-Z+5/6                                            
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      123.86067            
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       61.93033            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       92.89550            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       30.96517            
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      154.82583            
REMARK 290   SMTRY1   7 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000      123.86067            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   9 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   9  0.000000  0.000000 -1.000000       61.93033            
REMARK 290   SMTRY1  10  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  10 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000       30.96517            
REMARK 290   SMTRY1  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000       92.89550            
REMARK 290   SMTRY1  12  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000      154.82583            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 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: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3490 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 6650 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -42.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3940 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 6510 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -42.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, F                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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   699                                                      
REMARK 465     LYS A   734                                                      
REMARK 465     LEU A   735                                                      
REMARK 465     LYS A   736                                                      
REMARK 465     MET A   737                                                      
REMARK 465     GLY B   699                                                      
REMARK 465     GLY B   700                                                      
REMARK 465     LYS B   736                                                      
REMARK 465     MET B   737                                                      
REMARK 465     GLY C   699                                                      
REMARK 465     GLY C   700                                                      
REMARK 465     GLY D   699                                                      
REMARK 465     LYS D   734                                                      
REMARK 465     LEU D   735                                                      
REMARK 465     LYS D   736                                                      
REMARK 465     MET D   737                                                      
REMARK 465     GLY E   732                                                      
REMARK 465     SER E   733                                                      
REMARK 465     LYS E   734                                                      
REMARK 465     LEU E   735                                                      
REMARK 465     LYS E   736                                                      
REMARK 465     MET E   737                                                      
REMARK 465     MET F   737                                                      
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     TRP A 701    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP A 701    CZ3  CH2                                            
REMARK 470     VAL A 702    CG1  CG2                                            
REMARK 470     SER A 703    OG                                                  
REMARK 470     GLU A 706    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 729    CG   OD1  OD2                                       
REMARK 470     TRP B 701    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP B 701    CZ3  CH2                                            
REMARK 470     VAL B 702    CG1  CG2                                            
REMARK 470     SER B 703    OG                                                  
REMARK 470     GLU B 705    CG   CD   OE1  OE2                                  
REMARK 470     MET B 709    CG   SD   CE                                        
REMARK 470     LYS B 734    CG   CD   CE   NZ                                   
REMARK 470     LEU B 735    CG   CD1  CD2                                       
REMARK 470     TRP C 701    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP C 701    CZ3  CH2                                            
REMARK 470     SER C 703    OG                                                  
REMARK 470     LYS C 734    CG   CD   CE   NZ                                   
REMARK 470     LEU C 735    CG   CD1  CD2                                       
REMARK 470     MET C 737    CG   SD   CE                                        
REMARK 470     VAL D 702    CG1  CG2                                            
REMARK 470     TYR E 708    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     GLN E 727    CG   CD   OE1  NE2                                  
REMARK 470     SER F 703    OG                                                  
REMARK 470     GLU F 705    CG   CD   OE1  OE2                                  
REMARK 470     LYS F 734    CG   CD   CE   NZ                                   
REMARK 470     LEU F 735    CG   CD1  CD2                                       
REMARK 470     LYS F 736    CG   CD   CE   NZ                                   
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   CB   SER A   733     O    HOH A     7              2.14            
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    VAL A 702      -66.35   -109.17                                   
REMARK 500    SER A 703       74.79     58.50                                   
REMARK 500    SER B 703      -74.17   -134.11                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 AUTHOR STATES THAT THE REGION CRYSTALLIZED IS ONLY PART OF ORIGINAL  
REMARK 999 PROTEIN TARGET DUE TO IN-DROP PROTEOLYSIS. THEY HAVE ATTEMPTED TO    
REMARK 999 CRYSTALLIZE THE ENTIRE 137 AA PROTEIN, HOWEVER, MASS SPECTROSCOPIC   
REMARK 999 ANALYSIS OF THE CRYSTALS REVEALED THAT THERE HAD BEEN SOME           
REMARK 999 PROTEOLYSIS DURING THE CRYSTALLIZATION PROCESS, AND THE CRYSTAL      
REMARK 999 ONLY HAD A MASS OF 4338 DA. THIS MASS CORRESPONDS TO THE COILED-     
REMARK 999 COIL DOMAIN OF THE FULL LENGTH PROTEIN. SERRES RECORD IN THE PDB     
REMARK 999 FILE REPRESETS UNP RESIDUES 699-737.                                 
DBREF  3TE3 A  699   737  UNP    Q9P0L9   PK2L1_HUMAN    699    737             
DBREF  3TE3 B  699   737  UNP    Q9P0L9   PK2L1_HUMAN    699    737             
DBREF  3TE3 C  699   737  UNP    Q9P0L9   PK2L1_HUMAN    699    737             
DBREF  3TE3 D  699   737  UNP    Q9P0L9   PK2L1_HUMAN    699    737             
DBREF  3TE3 E  699   737  UNP    Q9P0L9   PK2L1_HUMAN    699    737             
DBREF  3TE3 F  699   737  UNP    Q9P0L9   PK2L1_HUMAN    699    737             
SEQRES   1 A   39  GLY GLY TRP VAL SER GLY GLU GLU PHE TYR MET LEU THR          
SEQRES   2 A   39  ARG ARG VAL LEU GLN LEU GLU THR VAL LEU GLU GLY VAL          
SEQRES   3 A   39  VAL SER GLN ILE ASP ALA VAL GLY SER LYS LEU LYS MET          
SEQRES   1 B   39  GLY GLY TRP VAL SER GLY GLU GLU PHE TYR MET LEU THR          
SEQRES   2 B   39  ARG ARG VAL LEU GLN LEU GLU THR VAL LEU GLU GLY VAL          
SEQRES   3 B   39  VAL SER GLN ILE ASP ALA VAL GLY SER LYS LEU LYS MET          
SEQRES   1 C   39  GLY GLY TRP VAL SER GLY GLU GLU PHE TYR MET LEU THR          
SEQRES   2 C   39  ARG ARG VAL LEU GLN LEU GLU THR VAL LEU GLU GLY VAL          
SEQRES   3 C   39  VAL SER GLN ILE ASP ALA VAL GLY SER LYS LEU LYS MET          
SEQRES   1 D   39  GLY GLY TRP VAL SER GLY GLU GLU PHE TYR MET LEU THR          
SEQRES   2 D   39  ARG ARG VAL LEU GLN LEU GLU THR VAL LEU GLU GLY VAL          
SEQRES   3 D   39  VAL SER GLN ILE ASP ALA VAL GLY SER LYS LEU LYS MET          
SEQRES   1 E   39  GLY GLY TRP VAL SER GLY GLU GLU PHE TYR MET LEU THR          
SEQRES   2 E   39  ARG ARG VAL LEU GLN LEU GLU THR VAL LEU GLU GLY VAL          
SEQRES   3 E   39  VAL SER GLN ILE ASP ALA VAL GLY SER LYS LEU LYS MET          
SEQRES   1 F   39  GLY GLY TRP VAL SER GLY GLU GLU PHE TYR MET LEU THR          
SEQRES   2 F   39  ARG ARG VAL LEU GLN LEU GLU THR VAL LEU GLU GLY VAL          
SEQRES   3 F   39  VAL SER GLN ILE ASP ALA VAL GLY SER LYS LEU LYS MET          
FORMUL   7  HOH   *8(H2 O)                                                      
HELIX    1   1 SER A  703  GLY A  732  1                                  30    
HELIX    2   2 GLY B  704  LYS B  734  1                                  31    
HELIX    3   3 SER C  703  SER C  733  1                                  31    
HELIX    4   4 SER D  703  GLY D  732  1                                  30    
HELIX    5   5 SER E  703  ASP E  729  1                                  27    
HELIX    6   6 SER F  703  LEU F  735  1                                  33    
CRYST1   74.634   74.634  185.791  90.00  90.00 120.00 P 65 2 2     72          
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      0.013399  0.007736  0.000000        0.00000                         
SCALE2      0.000000  0.015472  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.005382        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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