GenomeNet

Database: PDB
Entry: 5HCN
LinkDB: 5HCN
Original site: 5HCN 
HEADER    HYDROLASE                               04-JAN-16   5HCN              
TITLE     GPN-LOOP GTPASE NPA3 IN COMPLEX WITH GMPPCP                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GPN-LOOP GTPASE 1;                                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: 1-264 DELTA 203-211;                                       
COMPND   5 SYNONYM: ESSENTIAL PCL1-INTERACTING ATPASE 1,GPN-LOOP GTPASE NPA3,   
COMPND   6 NUCLEOLAR PRERIBOSOMAL-ASSOCIATED PROTEIN 3;                         
COMPND   7 EC: 3.6.5.-;                                                         
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
SOURCE   4 ORGANISM_TAXID: 4932;                                                
SOURCE   5 GENE: NPA3, EPA1, GPN1, YJR072C, J1821;                              
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    GPN-LOOP GTPASE, CHAPERONE, ASSEMBLY, RNA POLYMERASE, HYDROLASE       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.NIESSER,F.R.WAGNER,D.KOSTREWA,W.MUEHLBACHER,P.CRAMER                
REVDAT   5   06-SEP-17 5HCN    1       REMARK                                   
REVDAT   4   24-FEB-16 5HCN    1       JRNL                                     
REVDAT   3   27-JAN-16 5HCN    1       REMARK                                   
REVDAT   2   20-JAN-16 5HCN    1                                                
REVDAT   1   13-JAN-16 5HCN    0                                                
JRNL        AUTH   J.NIESSER,F.R.WAGNER,D.KOSTREWA,W.MUHLBACHER,P.CRAMER        
JRNL        TITL   STRUCTURE OF GPN-LOOP GTPASE NPA3 AND IMPLICATIONS FOR RNA   
JRNL        TITL 2 POLYMERASE II ASSEMBLY.                                      
JRNL        REF    MOL.CELL.BIOL.                V.  36   820 2015              
JRNL        REFN                   ESSN 1098-5549                               
JRNL        PMID   26711263                                                     
JRNL        DOI    10.1128/MCB.01009-15                                         
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX                                               
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) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.76                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 20172                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.214                           
REMARK   3   R VALUE            (WORKING SET) : 0.214                           
REMARK   3   FREE R VALUE                     : 0.227                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 2.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 403                             
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 36.7634 -  3.1727    1.00     6820   139  0.1830 0.1833        
REMARK   3     2  3.1727 -  2.5184    1.00     6544   133  0.2910 0.3387        
REMARK   3     3  2.5184 -  2.2001    0.99     6405   131  0.3293 0.4125        
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              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.300            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 41.450           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 121.3                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
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      :  0.007           2104                                  
REMARK   3   ANGLE     :  1.145           2836                                  
REMARK   3   CHIRALITY :  0.042            315                                  
REMARK   3   PLANARITY :  0.005            350                                  
REMARK   3   DIHEDRAL  : 16.107            775                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN A OR CHAIN C                                     
REMARK   3    ORIGIN FOR THE GROUP (A):  34.9295  18.3738   9.9674              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0421 T22:   1.0051                                     
REMARK   3      T33:   1.0193 T12:  -0.0097                                     
REMARK   3      T13:   0.0312 T23:  -0.0264                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9514 L22:   2.2900                                     
REMARK   3      L33:   0.8155 L12:  -0.5717                                     
REMARK   3      L13:   0.1690 L23:  -1.3507                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1710 S12:  -0.0600 S13:  -0.2462                       
REMARK   3      S21:   0.0813 S22:   0.2583 S23:   0.2106                       
REMARK   3      S31:  -0.1018 S32:  -0.0862 S33:  -0.0001                       
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 5HCN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 04-JAN-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000216833.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 31-JAN-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : PETRA III, EMBL C/O DESY           
REMARK 200  BEAMLINE                       : P13 (MX1)                          
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.99888                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 6M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 20172                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 14.11                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.04500                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 28.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.26                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 13.12                              
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 1.55000                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.070                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 62.40                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.27                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 10 MM HEPES (PH 7.5), 200 MM SODIUM      
REMARK 280  CHLORIDE, 5 MM MAGNESIUM CHLORIDE, 10 MM DTT, SMALL TUBES,          
REMARK 280  TEMPERATURE 281.15K                                                 
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+1/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+3/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+1/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+3/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
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        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       28.38000            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       58.12000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       58.12000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       14.19000            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       58.12000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       58.12000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       42.57000            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       58.12000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       58.12000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       14.19000            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       58.12000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       58.12000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       42.57000            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       28.38000            
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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1940 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 12660 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A    64                                                      
REMARK 465     GLU A    65                                                      
REMARK 465     ASN A    66                                                      
REMARK 465     TYR A    67                                                      
REMARK 465     GLN A    68                                                      
REMARK 465     LEU A    69                                                      
REMARK 465     HIS A   270                                                      
REMARK 465     HIS A   271                                                      
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    PRO A    47     O2   GOL A   304              2.03            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   OH   TYR A   213     OH   TYR A   213     7555     2.12            
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    LEU A  44      -72.82    -78.14                                   
REMARK 500    PRO A  47      -70.11    -26.99                                   
REMARK 500    GLN A 110       95.02    -51.61                                   
REMARK 500    ASP A 200       49.15    -77.16                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG A 303  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 THR A  17   OG1                                                    
REMARK 620 2 GCP A 302   O2G 164.5                                              
REMARK 620 3 GCP A 302   O2B 101.6  92.6                                        
REMARK 620 4 HOH A 401   O    92.7  71.8 153.5                                  
REMARK 620 5 HOH A 402   O    89.3  87.9  77.1  80.9                            
REMARK 620 6 HOH A 404   O    91.9  87.5 115.2  86.2 167.1                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue DAO A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GCP A 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 303                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 304                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 305                 
DBREF  5HCN A    2   264  UNP    P47122   GPN1_YEAST       2    264             
SEQADV 5HCN     A       UNP  P47122    LEU   203 DELETION                       
SEQADV 5HCN     A       UNP  P47122    ASN   204 DELETION                       
SEQADV 5HCN     A       UNP  P47122    GLY   205 DELETION                       
SEQADV 5HCN     A       UNP  P47122    ASP   206 DELETION                       
SEQADV 5HCN     A       UNP  P47122    ASN   207 DELETION                       
SEQADV 5HCN     A       UNP  P47122    GLY   208 DELETION                       
SEQADV 5HCN     A       UNP  P47122    LEU   209 DELETION                       
SEQADV 5HCN     A       UNP  P47122    GLY   210 DELETION                       
SEQADV 5HCN     A       UNP  P47122    SER   211 DELETION                       
SEQADV 5HCN LYS A  265  UNP  P47122              EXPRESSION TAG                 
SEQADV 5HCN HIS A  266  UNP  P47122              EXPRESSION TAG                 
SEQADV 5HCN HIS A  267  UNP  P47122              EXPRESSION TAG                 
SEQADV 5HCN HIS A  268  UNP  P47122              EXPRESSION TAG                 
SEQADV 5HCN HIS A  269  UNP  P47122              EXPRESSION TAG                 
SEQADV 5HCN HIS A  270  UNP  P47122              EXPRESSION TAG                 
SEQADV 5HCN HIS A  271  UNP  P47122              EXPRESSION TAG                 
SEQRES   1 A  261  SER LEU SER THR ILE ILE CYS ILE GLY MET ALA GLY SER          
SEQRES   2 A  261  GLY LYS THR THR PHE MET GLN ARG LEU ASN SER HIS LEU          
SEQRES   3 A  261  ARG ALA GLU LYS THR PRO PRO TYR VAL ILE ASN LEU ASP          
SEQRES   4 A  261  PRO ALA VAL LEU ARG VAL PRO TYR GLY ALA ASN ILE ASP          
SEQRES   5 A  261  ILE ARG ASP SER ILE LYS TYR LYS LYS VAL MET GLU ASN          
SEQRES   6 A  261  TYR GLN LEU GLY PRO ASN GLY ALA ILE VAL THR SER LEU          
SEQRES   7 A  261  ASN LEU PHE SER THR LYS ILE ASP GLN VAL ILE ARG LEU          
SEQRES   8 A  261  VAL GLU GLN LYS LYS ASP LYS PHE GLN ASN CYS ILE ILE          
SEQRES   9 A  261  ASP THR PRO GLY GLN ILE GLU CYS PHE VAL TRP SER ALA          
SEQRES  10 A  261  SER GLY ALA ILE ILE THR GLU SER PHE ALA SER SER PHE          
SEQRES  11 A  261  PRO THR VAL ILE ALA TYR ILE VAL ASP THR PRO ARG ASN          
SEQRES  12 A  261  SER SER PRO THR THR PHE MET SER ASN MET LEU TYR ALA          
SEQRES  13 A  261  CYS SER ILE LEU TYR LYS THR LYS LEU PRO MET ILE VAL          
SEQRES  14 A  261  VAL PHE ASN LYS THR ASP VAL CYS LYS ALA ASP PHE ALA          
SEQRES  15 A  261  LYS GLU TRP MET THR ASP PHE GLU SER PHE GLN ALA ALA          
SEQRES  16 A  261  ILE LYS GLU ASP GLN ASP GLY TYR MET SER SER LEU VAL          
SEQRES  17 A  261  ASN SER MET SER LEU MET LEU GLU GLU PHE TYR SER GLN          
SEQRES  18 A  261  LEU ASP VAL VAL GLY VAL SER SER PHE THR GLY ASP GLY          
SEQRES  19 A  261  PHE ASP GLU PHE MET GLN CYS VAL ASP LYS LYS VAL ASP          
SEQRES  20 A  261  GLU TYR ASP GLN TYR TYR LYS LYS HIS HIS HIS HIS HIS          
SEQRES  21 A  261  HIS                                                          
HET    DAO  A 301      14                                                       
HET    GCP  A 302      32                                                       
HET     MG  A 303       1                                                       
HET    GOL  A 304       6                                                       
HET    GOL  A 305       6                                                       
HETNAM     DAO LAURIC ACID                                                      
HETNAM     GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER                     
HETNAM      MG MAGNESIUM ION                                                    
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   2  DAO    C12 H24 O2                                                   
FORMUL   3  GCP    C11 H18 N5 O13 P3                                            
FORMUL   4   MG    MG 2+                                                        
FORMUL   5  GOL    2(C3 H8 O3)                                                  
FORMUL   7  HOH   *5(H2 O)                                                      
HELIX    1 AA1 GLY A   15  GLU A   30  1                                  16    
HELIX    2 AA2 ASN A   72  LYS A   85  1                                  14    
HELIX    3 AA3 LYS A   85  LYS A   96  1                                  12    
HELIX    4 AA4 ILE A  111  TRP A  116  1                                   6    
HELIX    5 AA5 SER A  117  SER A  129  1                                  13    
HELIX    6 AA6 ASP A  140  ASN A  144  5                                   5    
HELIX    7 AA7 SER A  146  LYS A  165  1                                  20    
HELIX    8 AA8 LYS A  174  CYS A  178  5                                   5    
HELIX    9 AA9 ASP A  181  LYS A  198  1                                  18    
HELIX   10 AB1 SER A  215  GLN A  231  1                                  17    
HELIX   11 AB2 GLY A  244  TYR A  263  1                                  20    
HELIX   12 AB3 LYS A  264  HIS A  267  5                                   4    
SHEET    1 AA1 7 ILE A  52  ASP A  53  0                                        
SHEET    2 AA1 7 TYR A  35  ASN A  38  1  N  VAL A  36   O  ILE A  52           
SHEET    3 AA1 7 ASN A 102  ASP A 106  1  O  ILE A 104   N  TYR A  35           
SHEET    4 AA1 7 SER A   4  ILE A   9  1  N  CYS A   8   O  ILE A 105           
SHEET    5 AA1 7 THR A 133  VAL A 139  1  O  ALA A 136   N  ILE A   7           
SHEET    6 AA1 7 MET A 168  PHE A 172  1  O  VAL A 171   N  VAL A 139           
SHEET    7 AA1 7 LEU A 232  GLY A 236  1  O  ASP A 233   N  VAL A 170           
LINK         OG1 THR A  17                MG    MG A 303     1555   1555  2.10  
LINK         O2G GCP A 302                MG    MG A 303     1555   1555  2.08  
LINK         O2B GCP A 302                MG    MG A 303     1555   1555  2.06  
LINK        MG    MG A 303                 O   HOH A 401     1555   1555  2.05  
LINK        MG    MG A 303                 O   HOH A 402     1555   1555  2.11  
LINK        MG    MG A 303                 O   HOH A 404     1555   1555  2.09  
CISPEP   1 TYR A   60    LYS A   61          0         6.96                     
SITE     1 AC1  5 ASN A 144  MET A 154  CYS A 158  TRP A 186                    
SITE     2 AC1  5 LEU A 232                                                     
SITE     1 AC2 18 ALA A  12  GLY A  13  SER A  14  GLY A  15                    
SITE     2 AC2 18 LYS A  16  THR A  17  THR A  18  GLY A 109                    
SITE     3 AC2 18 ASN A 173  LYS A 174  ASP A 176  SER A 238                    
SITE     4 AC2 18 SER A 239  PHE A 240   MG A 303  HOH A 401                    
SITE     5 AC2 18 HOH A 402  HOH A 404                                          
SITE     1 AC3  5 THR A  17  GCP A 302  HOH A 401  HOH A 402                    
SITE     2 AC3  5 HOH A 404                                                     
SITE     1 AC4  4 GLN A  21  ARG A  45  PRO A  47  VAL A 177                    
SITE     1 AC5  6 LYS A 179  PHE A 182  TRP A 186  ASP A 189                    
SITE     2 AC5  6 SER A 216  LEU A 217                                          
CRYST1  116.240  116.240   56.760  90.00  90.00  90.00 P 41 21 2     8          
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      0.008603  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.008603  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.017618        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system