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Database: PDB
Entry: 1O2F
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HEADER    TRANSFERASE                             11-MAR-03   1O2F              
TITLE     COMPLEX OF ENZYME IIAGLC AND IIBGLC PHOSPHOCARRIER PROTEIN            
TITLE    2 HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN           
TITLE    3 STRUCTURE                                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PTS SYSTEM, GLUCOSE-SPECIFIC IIA COMPONENT;                
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: IIAGLC, EIIA-GLC, GLUCOSE-PERMEASE IIA COMPONENT,           
COMPND   5 PHOSPHOTRANSFERASE ENZYME II, A COMPONENT, EIII-GLC;                 
COMPND   6 EC: 2.7.1.69;                                                        
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: PTS SYSTEM, GLUCOSE-SPECIFIC IIBC COMPONENT;               
COMPND  10 CHAIN: B;                                                            
COMPND  11 SYNONYM: IIBGLC, EIIBC-GLC, GLUCOSE-PERMEASE IIBC                    
COMPND  12 COMPONENT, PHOSPHOTRANSFERASE ENZYME II, BC COMPONENT, EII-          
COMPND  13 GLC;                                                                 
COMPND  14 EC: 2.7.1.69;                                                        
COMPND  15 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
SOURCE   3 ORGANISM_TAXID: 562;                                                 
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   6 MOL_ID: 2;                                                           
SOURCE   7 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
SOURCE   8 ORGANISM_TAXID: 562;                                                 
SOURCE   9 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  10 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT,             
KEYWDS   2 COMPLEX (TRANSFERASE/PHOSPHOCARRIER)                                 
EXPDTA    SOLUTION NMR                                                          
NUMMDL    3                                                                     
AUTHOR    G.M.CLORE,M.CAI,D.C.WILLIAMS                                          
REVDAT   3   24-FEB-09 1O2F    1       VERSN                                    
REVDAT   2   08-JUL-03 1O2F    1       JRNL   AUTHOR                            
REVDAT   1   13-MAY-03 1O2F    0                                                
JRNL        AUTH   M.CAI,D.C.WILLIAMS JR.,G.WANG,B.R.LEE,                       
JRNL        AUTH 2 A.PETERKOFSKY,G.M.CLORE                                      
JRNL        TITL   SOLUTION STRUCTURE OF THE PHOSPHORYL TRANSFER                
JRNL        TITL 2 COMPLEX BETWEEN THE SIGNAL-TRANSDUCING PROTEIN               
JRNL        TITL 3 IIAGLUCOSE AND THE CYTOPLASMIC DOMAIN OF THE                 
JRNL        TITL 4 GLUCOSE TRANSPORTER IICBGLUCOSE OF THE ESCHERICHIA           
JRNL        TITL 5 COLI GLUCOSE PHOSPHOTRANSFERASE SYSTEM.                      
JRNL        REF    J.BIOL.CHEM.                  V. 278 25191 2003              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   12716891                                                     
JRNL        DOI    10.1074/JBC.M302677200                                       
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR_NIH (HTTP://NMR.CIT.NIH.GOV/XPLOR_NIH)        
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA, CLORE                
REMARK   3                 J.MAGN.RESON. 160, 66-73 (2003)                      
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURES WERE CALCULATED BY CONJOINED RIGID BODY/TORSION      
REMARK   3  ANGLE DYNAMICS (SCHWIETERS & CLORE (2001) J.MAGN.RESON 152, 288-    
REMARK   3  302). THE TARGET FUNCTIONS COMPRISES TERMS FOR THE NOE-DERIVED      
REMARK   3  TERMS FOR THE NOE RESTRAINTS (INTRA AND INTERMOLECULAR), THE        
REMARK   3  INTERFACIAL SIDECHAIN TORSION ANGLE RESTRAINTS FOR IIAGLC, THE      
REMARK   3  BACKBONE AND SIDE CHAIN TORSION ANGLE RESTRAINTS FOR IIBGLC, THE    
REMARK   3  DIPOLAR COUPLING RESTRAINTS FOR IIBGL (CLORE ET AL.                 
REMARK   3  J.MAGN.RESON. 131, 159-162 (1998); J.MAGN.RESON. 133, 216-          
REMARK   3  221(1998)), THE RADIUS OF GYRATION (KUSZEWSKI ET AL. (1999), A      
REMARK   3  QUARTIC VAN DER WAALS REPULSION TERM (NILGES ET AL. (1988) FEBS     
REMARK   3  LETT. 229, 129- 136), AND A TORSION ANGLE DATABASE POTENTIAL OF     
REMARK   3  MEAN FORCE (CLORE & KUSZEWSKI (2002) J.AM.CHEM.SOC 121, 2337-       
REMARK   3  2338). THE STARTING COORDINATES FOR IIAGLC ARE FROM THE 2.1         
REMARK   3  ANGSTROM RESOLUTION X-RAY STRUCTURE (WITH PROTONS ADDED) OF E.      
REMARK   3  COLI IIAGLC (MOLECULE 2 OF 2F3G; FEESE ET AL. BIOCHEMISTRY 36,      
REMARK   3  16087-16096 (1997)). THE BACKBONE COORDINATES AND NON-              
REMARK   3  INTERFACIAL SIDECHAINS OF IIAGLC ARE TREATED AS A RIGID BODY.       
REMARK   3                                                                      
REMARK   3  IN THIS ENTRY THE LAST COLUMN REPRESENTS THE AVERAGE RMS            
REMARK   3  DIFFERENCE BETWEEN THE INDIVIDUAL SIMULATED ANNEALING               
REMARK   3  STRUCTURES AND THE MEAN COORDINATE POSITIONS. IT IS                 
REMARK   3  IMPORTANT TO NOTE THAT THE VALUES GIVEN FOR THE BACKBONE            
REMARK   3  ATOMS AND NON-INTERFACIAL SIDECHAINS OF IIAGLC                      
REMARK   3  PROVIDE ONLY A MEASURE OF THE PRECISION WITH WHICH THE              
REMARK   3  RELATIVE ORIENTATION OF IIAGLC IN THE COMPLEX                       
REMARK   3  HAS BEEN DETERMINED AND DOES NOT TAKE INTO ACCOUNT THE              
REMARK   3  THE ERRORS IN THE X-RAY COORDINATES OF IIAGLC                       
REMARK   3                                                                      
REMARK   3  RESIDUE NUMBERING:                                                  
REMARK   3  IIAGLC: 19-168 (RESIDUES 1-18 ARE DISORDERED                        
REMARK   3  IN SOLUTION AND NOT VISIBLE IN THE ELECTRON DENSITY                 
REMARK   3  MAP OF THE CRYSTAL STRUCTURE OF THE FREE PROTEIN).                  
REMARK   3  IIBGLC: 314-390 (CORRESPONDING TO RESIDUES 400-476 OF               
REMARK   3  INTACT IIBCGLC. RESIDUES 301-314 ARE DISORDERED IN                  
REMARK   3  SOLUTION.                                                           
REMARK   3  PRO317 HAS BEEN MUTATED TO ALA TO REMOVE HETEROGENEITY              
REMARK   3  ARISING FROM CIS-TRANS PROLINE ISOMERIZATION.                       
REMARK   3  PHOSPHATE: RESIDUE 200                                              
REMARK   3                                                                      
REMARK   3  EXPERIMENTAL RESTRAINTS:                                            
REMARK   3     INTRAMOLECULAR INTERPROTON DISTANCE RESTRAINTS:                  
REMARK   3           IIBGLC:   987 (189 INTRARESIDUE, 273 SEQUENTIAL,           
REMARK   3                         (218 MEDIUM RANGE (1 < |I-J|<=5,             
REMARK   3                          307 LONG RANGE (|I-J>5)                     
REMARK   3           IIAGLC INTERFACIAL SIDE CHAINS: 30                         
REMARK   3     INTERMOLECULAR INTERPROTON DISTANCE RESTRAINTS: 113              
REMARK   3     BACKBONE H-BOND RESTRAINTS FOR IIBGLC (2 PER H-BOND): 72         
REMARK   3     TORSION ANGLE RESTRAINTS:                                        
REMARK   3           IIBGLC:    221                                             
REMARK   3           IIAGLC INTERFACIAL SIDE CHAINS: 34                         
REMARK   3     RESIDUAL DIPOLAR COUPLINGS FOR IIBGLC:  174                      
REMARK   3                           (58 N-H, 58 N-C', 58 HN-C')                
REMARK   3     13CALPHA/BETA SHIFTS FOR IIBGLC:  138                            
REMARK   3                                                                      
REMARK   3  THREE SETS OF COORDINATES ARE GIVEN:                                
REMARK   3                                                                      
REMARK   3  MODEL 1: RESTRAINED REGULARIZED MEAN                                
REMARK   3  COORDINATES OF THE UNPHOSPHORYLATED IIAGLC-IIBGLC COMPLEX           
REMARK   3  OVERALL BACKBONE COORDINATE PRECISION (IIAGLC+IIBGLC): 0.31A        
REMARK   3  HEAVY ATOM INTERFACE SIDECHAIN COORDINATE PRECISION                 
REMARK   3                          (IIAGLC+IIBGLC): 0.67A                      
REMARK   3  BACKBONE COORDINATE PRECISION FOR IIBGLC: 0.21 A                    
REMARK   3  ALL HEAVY ATOM COORDINATE PRECISION FOR IIBGLC; 0.71 A              
REMARK   3                                                                      
REMARK   3  MODEL 2: RESTRAINED REGULARIZED MEAN COORDINATES FOR THE            
REMARK   3  MODEL OF THE DISSOCIATIVE PHOSPHORYL TRANSITION STATE               
REMARK   3  IIAGLC-IIBGLC. EXPERIMENTAL RESTRAINTS ARE                          
REMARK   3  IDENTICAL TO THOSE USED FOR MODEL 1, BUT COVALENT                   
REMARK   3  GEOMETRY RESTRAINTS ARE INCLUDED RELATING TO THE                    
REMARK   3  PENTACOORDINATE PHOSPHORYL GROUP IN A TRIGONAL BIPYRAMIDAL          
REMARK   3  GEOMETRY.  THE STRUCTURE IS DERIVED FROM                            
REMARK   3  MODEL 1 BY RESTRAINED CONJOINED                                     
REMARK   3  TORSION ANGLE/RIGID BODY MINIMIZATION. NO RESTRAINTS                
REMARK   3  WERE EMPLOYED FOR THE NE2(HIS90/IIAGLC)-P                           
REMARK   3  AND SG(CYS35/IIBGLC)-P DISTANCES. THERE IS NO CHANGE                
REMARK   3  IN BACKBONE RELATIVE TO MODEL 1 BUT THE NE2(HIS90/IIAGLC-           
REMARK   3  SG(CYS35/IIBGLC) DISTANCE IS REDUCED FROM 5.75 A IN                 
REMARK   3  MODEL 1 TO 5.3 A IN MODEL 2.                                        
REMARK   3                                                                      
REMARK   3  MODEL 3: RESTRAINED REGULARIZED MEAN COORDINATES FOR THE            
REMARK   3  MODEL OF THE ASSOCIATIVE PHOSPHORYL TRANSITION STATE                
REMARK   3  HPR-IIAGLC COMPLEX. CALCULATED LIKE MODEL 2 BUT                     
REMARK   3  WITH THE NE2(HIS90/IIAGLC)-P                                        
REMARK   3  AND SG(CYS35/IIBGLC)-P DISTANCES RESTRAINED TO 2 A.                 
REMARK   3  THE STRUCTURE IS DERIVED FROM                                       
REMARK   3  MODEL 1 BY RESTRAINED CONJOINED                                     
REMARK   3  TORSION ANGLE/RIGID BODY MINIMIZATION.                              
REMARK   3  THE RMS DIFFERENCE BETWEEN THE MEAN                                 
REMARK   3  STRUCTURES OF THE UNPHOSPHORYLATED COMPLEX (MODEL 1)                
REMARK   3  AND THE TRANSITION STATE COMPLEX (MODEL 3) IS ONLY 0.1 A            
REMARK   3  FOR BACKBONE COORDINATES IMMEDIATELY ADJACENT TO THE ACTIVE         
REMARK   3  SITE HIS AND CYS (RESIDUES 89-91 OF IIAGLC AND                      
REMARK   3  334-336 OF IIBGLC). THE REMAINING BACKBONE                          
REMARK   3  COORDINATES DO NOT SHIFT.                                           
REMARK   4                                                                      
REMARK   4 1O2F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-MAR-03.                  
REMARK 100 THE RCSB ID CODE IS RCSB001719.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 308.00                             
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 10 MM SODIUM PHOSPHATE             
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 1) TRIPLE RESONANCE FOR            
REMARK 210                                   ASSIGNMENT OF PROTEIN, (2)         
REMARK 210                                   QUANTITATIVE J CORRELATION FOR     
REMARK 210                                   COUPLING CONSTANTS, (3) 3D, 4D     
REMARK 210                                   HETERONUCLEAR SEPARATED,           
REMARK 210                                   FILTERED NOE EXPTS, (4) IPAP       
REMARK 210                                   EXPERIMENTS FOR DIPOLAR            
REMARK 210                                   COUPLINGS. DIPOLAR COUPLINGS       
REMARK 210                                   WERE MEASURED IN PHAGE PF1         
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 600 MHZ, 750 MHZ,         
REMARK 210                                   800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DMX, DRX                           
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : CONJOINED RIGID BODY/TORSION       
REMARK 210                                   ANGLE DYNAMICS                     
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 60                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 3                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : REGULARIZED MEAN STRUCTURES        
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-3                                                         
REMARK 465     RES C SSSEQI                                                     
REMARK 465     GLY A     1                                                      
REMARK 465     LEU A     2                                                      
REMARK 465     PHE A     3                                                      
REMARK 465     ASP A     4                                                      
REMARK 465     LYS A     5                                                      
REMARK 465     LEU A     6                                                      
REMARK 465     LYS A     7                                                      
REMARK 465     SER A     8                                                      
REMARK 465     LEU A     9                                                      
REMARK 465     VAL A    10                                                      
REMARK 465     SER A    11                                                      
REMARK 465     ASP A    12                                                      
REMARK 465     ASP A    13                                                      
REMARK 465     LYS A    14                                                      
REMARK 465     LYS A    15                                                      
REMARK 465     ASP A    16                                                      
REMARK 465     THR A    17                                                      
REMARK 465     GLY A    18                                                      
REMARK 465     GLU B   301                                                      
REMARK 465     ASP B   302                                                      
REMARK 465     ALA B   303                                                      
REMARK 465     THR B   304                                                      
REMARK 465     GLU B   305                                                      
REMARK 465     ASP B   306                                                      
REMARK 465     ALA B   307                                                      
REMARK 465     LYS B   308                                                      
REMARK 465     ALA B   309                                                      
REMARK 465     THR B   310                                                      
REMARK 465     GLY B   311                                                      
REMARK 465     THR B   312                                                      
REMARK 465     SER B   313                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(RES=RESIDUE NAME;          
REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 470   MODELS 1-3                                                         
REMARK 470     RES CSSEQI  ATOMS                                                
REMARK 470     LYS A 168    O                                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OG1  THR B   330     OG   SER B   342              2.18            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 PRO A  37       48.81    -75.15                                   
REMARK 500  1 ASN A  57       17.06   -142.88                                   
REMARK 500  1 GLU A 160      -55.08   -136.26                                   
REMARK 500  1 ALA B 334     -168.38   -161.08                                   
REMARK 500  1 CYS B 335     -130.92   -135.19                                   
REMARK 500  1 LYS B 376        4.09    -69.92                                   
REMARK 500  2 PRO A  37       47.69    -73.19                                   
REMARK 500  2 ASN A  57       17.99   -141.91                                   
REMARK 500  2 VAL A 158      131.53    -39.10                                   
REMARK 500  2 GLU A 160      -52.54   -141.02                                   
REMARK 500  2 CYS B 335     -130.20   -144.38                                   
REMARK 500  3 PRO A  37       47.65    -73.02                                   
REMARK 500  3 ASN A  57       17.08   -142.21                                   
REMARK 500  3 VAL A 158      131.51    -37.35                                   
REMARK 500  3 GLU A 160      -51.54   -144.33                                   
REMARK 500  3 CYS B 335     -131.27   -135.25                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 ARG A 105         0.14    SIDE_CHAIN                              
REMARK 500  1 ARG A 112         0.31    SIDE_CHAIN                              
REMARK 500  1 ARG A 165         0.10    SIDE_CHAIN                              
REMARK 500  2 ARG A 105         0.14    SIDE_CHAIN                              
REMARK 500  2 ARG A 112         0.31    SIDE_CHAIN                              
REMARK 500  2 ARG A 165         0.09    SIDE_CHAIN                              
REMARK 500  3 ARG A 105         0.14    SIDE_CHAIN                              
REMARK 500  3 ARG A 112         0.31    SIDE_CHAIN                              
REMARK 500  3 ARG A 165         0.10    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1O2F A    1   168  UNP    P69783   PTGA_ECOLI       1    168             
DBREF  1O2F B  301   390  UNP    P69786   PTGCB_ECOLI    387    476             
SEQADV 1O2F ALA B  317  UNP  P69786    PRO   403 SEE REMARK 999                 
SEQRES   1 A  168  GLY LEU PHE ASP LYS LEU LYS SER LEU VAL SER ASP ASP          
SEQRES   2 A  168  LYS LYS ASP THR GLY THR ILE GLU ILE ILE ALA PRO LEU          
SEQRES   3 A  168  SER GLY GLU ILE VAL ASN ILE GLU ASP VAL PRO ASP VAL          
SEQRES   4 A  168  VAL PHE ALA GLU LYS ILE VAL GLY ASP GLY ILE ALA ILE          
SEQRES   5 A  168  LYS PRO THR GLY ASN LYS MET VAL ALA PRO VAL ASP GLY          
SEQRES   6 A  168  THR ILE GLY LYS ILE PHE GLU THR ASN HIS ALA PHE SER          
SEQRES   7 A  168  ILE GLU SER ASP SER GLY VAL GLU LEU PHE VAL HIS PHE          
SEQRES   8 A  168  GLY ILE ASP THR VAL GLU LEU LYS GLY GLU GLY PHE LYS          
SEQRES   9 A  168  ARG ILE ALA GLU GLU GLY GLN ARG VAL LYS VAL GLY ASP          
SEQRES  10 A  168  THR VAL ILE GLU PHE ASP LEU PRO LEU LEU GLU GLU LYS          
SEQRES  11 A  168  ALA LYS SER THR LEU THR PRO VAL VAL ILE SER ASN MET          
SEQRES  12 A  168  ASP GLU ILE LYS GLU LEU ILE LYS LEU SER GLY SER VAL          
SEQRES  13 A  168  THR VAL GLY GLU THR PRO VAL ILE ARG ILE LYS LYS              
SEQRES   1 B   90  GLU ASP ALA THR GLU ASP ALA LYS ALA THR GLY THR SER          
SEQRES   2 B   90  GLU MET ALA ALA ALA LEU VAL ALA ALA PHE GLY GLY LYS          
SEQRES   3 B   90  GLU ASN ILE THR ASN LEU ASP ALA CYS ILE THR ARG LEU          
SEQRES   4 B   90  ARG VAL SER VAL ALA ASP VAL SER LYS VAL ASP GLN ALA          
SEQRES   5 B   90  GLY LEU LYS LYS LEU GLY ALA ALA GLY VAL VAL VAL ALA          
SEQRES   6 B   90  GLY SER GLY VAL GLN ALA ILE PHE GLY THR LYS SER ASP          
SEQRES   7 B   90  ASN LEU LYS THR GLU MET ASP GLU TYR ILE ARG ASN              
HET    PO3  B 200       4                                                       
HETNAM     PO3 PHOSPHITE ION                                                    
FORMUL   3  PO3    O3 P 3-                                                      
HELIX    1   1 ASN A   32  VAL A   36  5                                   5    
HELIX    2   2 ASP A   38  GLU A   43  1                                   6    
HELIX    3   3 ASP A   94  LYS A   99  5                                   6    
HELIX    4   4 ASP A  123  ALA A  131  1                                   9    
HELIX    5   5 ASN A  142  ILE A  146  5                                   5    
HELIX    6   6 GLU B  314  GLY B  324  1                                  11    
HELIX    7   7 ASP B  345  VAL B  349  5                                   5    
HELIX    8   8 ASP B  350  LEU B  357  1                                   8    
HELIX    9   9 LYS B  376  ARG B  389  1                                  14    
SHEET    1   A 3 ILE A  20  ILE A  23  0                                        
SHEET    2   A 3 PRO A 162  LYS A 167 -1  O  VAL A 163   N  ILE A  22           
SHEET    3   A 3 GLU A 148  LYS A 151 -1  N  ILE A 150   O  ARG A 165           
SHEET    1   B 8 ARG A 112  VAL A 113  0                                        
SHEET    2   B 8 GLY A  65  ILE A  70 -1  N  GLY A  65   O  VAL A 113           
SHEET    3   B 8 ALA A  76  SER A  81 -1  O  SER A  78   N  LYS A  69           
SHEET    4   B 8 GLU A  86  HIS A  90 -1  O  LEU A  87   N  ILE A  79           
SHEET    5   B 8 THR A 136  ILE A 140 -1  O  VAL A 139   N  PHE A  88           
SHEET    6   B 8 ASP A  48  PRO A  54 -1  N  ILE A  50   O  VAL A 138           
SHEET    7   B 8 GLY A  28  VAL A  31 -1  N  VAL A  31   O  ALA A  51           
SHEET    8   B 8 SER A 155  VAL A 156 -1  O  VAL A 156   N  GLY A  28           
SHEET    1   C 3 LYS A  58  VAL A  60  0                                        
SHEET    2   C 3 THR A 118  PHE A 122 -1  O  ILE A 120   N  MET A  59           
SHEET    3   C 3 PHE A 103  ARG A 105 -1  N  LYS A 104   O  GLU A 121           
SHEET    1   D 4 ILE B 329  ALA B 334  0                                        
SHEET    2   D 4 LEU B 339  VAL B 343 -1  O  ARG B 340   N  ASP B 333           
SHEET    3   D 4 GLY B 368  ILE B 372 -1  O  VAL B 369   N  VAL B 341           
SHEET    4   D 4 GLY B 361  ALA B 365 -1  N  VAL B 363   O  GLN B 370           
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system