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Database: PDB
Entry: 3LX8
LinkDB: 3LX8
Original site: 3LX8 
HEADER    METAL TRANSPORT                         24-FEB-10   3LX8              
TITLE     CRYSTAL STRUCTURE OF GDP-BOUND NFEOB FROM S. THERMOPHILUS             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FERROUS IRON UPTAKE TRANSPORTER PROTEIN B;                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: CYTOPLASMIC DOMAINS;                                       
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS;                     
SOURCE   3 ORGANISM_TAXID: 264199;                                              
SOURCE   4 STRAIN: LMG 18311;                                                   
SOURCE   5 GENE: FEOB;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-1                                 
KEYWDS    G PROTEIN, IRON TRANSPORT, GTP-BINDING, GTPASE, TRANSMEMBRANE, METAL  
KEYWDS   2 TRANSPORT                                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.R.ASH,A.GUILFOYLE,M.J.MAHER,R.J.CLARKE,J.M.GUSS,M.JORMAKKA          
REVDAT   4   08-NOV-17 3LX8    1       REMARK                                   
REVDAT   3   13-JUL-11 3LX8    1       VERSN                                    
REVDAT   2   09-JUN-10 3LX8    1       JRNL                                     
REVDAT   1   09-MAR-10 3LX8    0                                                
JRNL        AUTH   M.R.ASH,A.GUILFOYLE,R.J.CLARKE,J.M.GUSS,M.J.MAHER,M.JORMAKKA 
JRNL        TITL   POTASSIUM-ACTIVATED GTPASE REACTION IN THE G PROTEIN-COUPLED 
JRNL        TITL 2 FERROUS IRON TRANSPORTER B.                                  
JRNL        REF    J.BIOL.CHEM.                  V. 285 14594 2010              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   20220129                                                     
JRNL        DOI    10.1074/JBC.M110.111914                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.90 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0063                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.90                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 50.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : -3.000                         
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 6427                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.245                           
REMARK   3   R VALUE            (WORKING SET) : 0.239                           
REMARK   3   FREE R VALUE                     : 0.298                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.800                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 631                             
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.90                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.97                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 338                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 84.04                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3480                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 36                           
REMARK   3   BIN FREE R VALUE                    : 0.4110                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1928                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 28                                      
REMARK   3   SOLVENT ATOMS            : 0                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   B VALUE TYPE : LIKELY RESIDUAL                                     
REMARK   3   FROM WILSON PLOT           (A**2) : 66.90                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 28.93                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -2.55000                                             
REMARK   3    B22 (A**2) : -2.55000                                             
REMARK   3    B33 (A**2) : 5.11000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.522         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.419         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 47.870        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.913                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.875                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1993 ; 0.010 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  2729 ; 1.494 ; 1.977       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   259 ; 3.478 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    80 ;35.846 ;25.375       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   314 ;15.198 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     9 ;13.349 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   338 ; 0.071 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  1478 ; 0.003 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  1290 ; 0.525 ; 2.000       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  2082 ; 0.968 ; 3.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   703 ; 0.791 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   647 ; 1.287 ; 4.000       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     1        A   258                          
REMARK   3    ORIGIN FOR THE GROUP (A):   5.5060  15.2140 -16.7220              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2373 T22:   0.2541                                     
REMARK   3      T33:   0.1912 T12:  -0.0157                                     
REMARK   3      T13:   0.0168 T23:  -0.0707                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0603 L22:   1.0452                                     
REMARK   3      L33:   2.1377 L12:  -0.1504                                     
REMARK   3      L13:  -1.0643 L23:  -0.0051                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1358 S12:  -0.2141 S13:   0.1115                       
REMARK   3      S21:  -0.1174 S22:  -0.1401 S23:   0.0428                       
REMARK   3      S31:  -0.2403 S32:   0.1335 S33:   0.0044                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS U VALUES : RESIDUAL ONLY                                  
REMARK   4                                                                      
REMARK   4 3LX8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 03-MAR-10.                  
REMARK 100 THE DEPOSITION ID IS D_1000057843.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 18-DEC-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU MICROMAX-007 HF             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5412                             
REMARK 200  MONOCHROMATOR                  : VARIMAX HF                         
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MAR 345 MM PLATE                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000                    
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK, HKL-2000                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 6494                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.900                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.9                               
REMARK 200  DATA REDUNDANCY                : 6.600                              
REMARK 200  R MERGE                    (I) : 0.13300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 11.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.90                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.95                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 71.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.41400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.000                              
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: 3LX5                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 42.49                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M NACL, 0.1M BIS-TRIS PH 5.5, 25%     
REMARK 280  (W/V) PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K     
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      141.05000            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       21.40000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       21.40000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       70.52500            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       21.40000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       21.40000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000      211.57500            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       21.40000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       21.40000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       70.52500            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       21.40000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       21.40000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000      211.57500            
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      141.05000            
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 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     GLY A    -1                                                      
REMARK 465     SER A     0                                                      
REMARK 465     GLU A   259                                                      
REMARK 465     SER A   260                                                      
REMARK 465     HIS A   261                                                      
REMARK 465     THR A   262                                                      
REMARK 465     GLU A   263                                                      
REMARK 465     ASP A   264                                                      
REMARK 465     PHE A   265                                                      
REMARK 465     ALA A   266                                                      
REMARK 465     LEU A   267                                                      
REMARK 465     THR A   268                                                      
REMARK 465     LEU A   269                                                      
REMARK 465     SER A   270                                                      
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     LEU A   6    CG   CD1  CD2                                       
REMARK 470     ARG A  27    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A  44    CD   CE   NZ                                        
REMARK 470     LYS A  45    CE   NZ                                             
REMARK 470     LYS A  47    CG   CD   CE   NZ                                   
REMARK 470     LYS A  68    CG   CD   CE   NZ                                   
REMARK 470     GLN A  77    CG   CD   OE1  NE2                                  
REMARK 470     ARG A  78    CD   NE   CZ   NH1  NH2                             
REMARK 470     GLU A  92    CG   CD   OE1  OE2                                  
REMARK 470     ARG A  93    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 123    CG   CD   CE   NZ                                   
REMARK 470     LYS A 124    CG   CD   CE   NZ                                   
REMARK 470     LYS A 129    CG   CD   CE   NZ                                   
REMARK 470     LYS A 155    CG   CD   CE   NZ                                   
REMARK 470     ASP A 166    CG   OD1  OD2                                       
REMARK 470     GLN A 193    CG   CD   OE1  NE2                                  
REMARK 470     GLU A 213    CG   CD   OE1  OE2                                  
REMARK 470     ASP A 215    CG   OD1  OD2                                       
REMARK 470     GLN A 218    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 222    CD   CE   NZ                                        
REMARK 470     GLU A 240    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 252    CG   CD   OE1  OE2                                  
REMARK 470     GLN A 256    CG   CD   OE1  NE2                                  
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    ASN A  25       47.42    -75.02                                   
REMARK 500    THR A  35       43.12    -86.12                                   
REMARK 500    TYR A  63      -72.53    -93.05                                   
REMARK 500    ASN A  90       56.41   -117.21                                   
REMARK 500    LEU A 144      -72.36    -73.47                                   
REMARK 500    THR A 159       77.80   -109.56                                   
REMARK 500    GLU A 213       45.38    -99.21                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A 300                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3LX5   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF MGMPPNP-BOUND NFEOB FROM S. THERMOPHILUS        
DBREF  3LX8 A    1   270  UNP    Q5M586   Q5M586_STRT2     1    270             
SEQADV 3LX8 GLY A   -1  UNP  Q5M586              EXPRESSION TAG                 
SEQADV 3LX8 SER A    0  UNP  Q5M586              EXPRESSION TAG                 
SEQRES   1 A  272  GLY SER MET THR GLU ILE ALA LEU ILE GLY ASN PRO ASN          
SEQRES   2 A  272  SER GLY LYS THR SER LEU PHE ASN LEU ILE THR GLY HIS          
SEQRES   3 A  272  ASN GLN ARG VAL GLY ASN TRP PRO GLY VAL THR VAL GLU          
SEQRES   4 A  272  ARG LYS SER GLY LEU VAL LYS LYS ASN LYS ASP LEU GLU          
SEQRES   5 A  272  ILE GLN ASP LEU PRO GLY ILE TYR SER MET SER PRO TYR          
SEQRES   6 A  272  SER PRO GLU GLU LYS VAL ALA ARG ASP TYR LEU LEU SER          
SEQRES   7 A  272  GLN ARG ALA ASP SER ILE LEU ASN VAL VAL ASP ALA THR          
SEQRES   8 A  272  ASN LEU GLU ARG ASN LEU TYR LEU THR THR GLN LEU ILE          
SEQRES   9 A  272  GLU THR GLY ILE PRO VAL THR ILE ALA LEU ASN MET ILE          
SEQRES  10 A  272  ASP VAL LEU ASP GLY GLN GLY LYS LYS ILE ASN VAL ASP          
SEQRES  11 A  272  LYS LEU SER TYR HIS LEU GLY VAL PRO VAL VAL ALA THR          
SEQRES  12 A  272  SER ALA LEU LYS GLN THR GLY VAL ASP GLN VAL VAL LYS          
SEQRES  13 A  272  LYS ALA ALA HIS THR THR THR SER THR VAL GLY ASP LEU          
SEQRES  14 A  272  ALA PHE PRO ILE TYR ASP ASP ARG LEU GLU ALA ALA ILE          
SEQRES  15 A  272  SER GLN ILE LEU GLU VAL LEU GLY ASN SER VAL PRO GLN          
SEQRES  16 A  272  ARG SER ALA ARG PHE TYR ALA ILE LYS LEU PHE GLU GLN          
SEQRES  17 A  272  ASP SER LEU VAL GLU ALA GLU LEU ASP LEU SER GLN PHE          
SEQRES  18 A  272  GLN ARG LYS GLU ILE GLU ASP ILE ILE ARG ILE THR GLU          
SEQRES  19 A  272  GLU ILE PHE THR GLU ASP ALA GLU SER ILE VAL ILE ASN          
SEQRES  20 A  272  GLU ARG TYR ALA PHE ILE GLU ARG VAL CYS GLN MET ALA          
SEQRES  21 A  272  GLU SER HIS THR GLU ASP PHE ALA LEU THR LEU SER              
HET    GDP  A 300      28                                                       
HETNAM     GDP GUANOSINE-5'-DIPHOSPHATE                                         
FORMUL   2  GDP    C10 H15 N5 O11 P2                                            
HELIX    1   1 GLY A   13  GLY A   23  1                                  11    
HELIX    2   2 SER A   64  SER A   76  1                                  13    
HELIX    3   3 ASN A   90  GLU A  103  1                                  14    
HELIX    4   4 MET A  114  GLY A  122  1                                   9    
HELIX    5   5 ASN A  126  GLY A  135  1                                  10    
HELIX    6   6 GLY A  148  THR A  159  1                                  12    
HELIX    7   7 ASP A  173  GLY A  188  1                                  16    
HELIX    8   8 SER A  195  GLU A  205  1                                  11    
HELIX    9   9 ASP A  207  GLU A  213  1                                   7    
HELIX   10  10 SER A  217  THR A  236  1                                  20    
HELIX   11  11 ASP A  238  CYS A  255  1                                  18    
SHEET    1   A 7 GLN A  26  ASN A  30  0                                        
SHEET    2   A 7 GLU A  37  LEU A  42 -1  O  ARG A  38   N  GLY A  29           
SHEET    3   A 7 LEU A  49  ASP A  53 -1  O  ILE A  51   N  GLY A  41           
SHEET    4   A 7 THR A   2  GLY A   8  1  N  THR A   2   O  GLU A  50           
SHEET    5   A 7 SER A  81  ASP A  87  1  O  VAL A  85   N  ILE A   7           
SHEET    6   A 7 VAL A 108  ASN A 113  1  O  THR A 109   N  ASN A  84           
SHEET    7   A 7 VAL A 138  ALA A 140  1  O  VAL A 139   N  ILE A 110           
SITE     1 AC1 13 ASN A  11  SER A  12  GLY A  13  LYS A  14                    
SITE     2 AC1 13 THR A  15  SER A  16  ASN A 113  MET A 114                    
SITE     3 AC1 13 ASP A 116  VAL A 117  SER A 142  ALA A 143                    
SITE     4 AC1 13 LEU A 144                                                     
CRYST1   42.800   42.800  282.100  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      0.023368  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.023368  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.003545        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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