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- PDB-7n7g: Crystal Structure of FosB from Enterococcus faecium with Fosfomycin -
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Open data
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Basic information
Entry | Database: PDB / ID: 7n7g | ||||||
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Title | Crystal Structure of FosB from Enterococcus faecium with Fosfomycin | ||||||
![]() | Metallothiol transferase FosB | ||||||
![]() | TRANSFERASE/ANTIBIOTIC / fosfomycin / antibiotic resistance / thiol-transferase / ANTIBIOTIC / dimer / TRANSFERASE-ANTIBIOTIC complex | ||||||
Function / homology | ![]() transferase activity, transferring alkyl or aryl (other than methyl) groups / response to antibiotic / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Shay, M.R. / Simmons, Z. / Thompson, M.K. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural and functional characterization of fosfomycin resistance conferred by FosB from Enterococcus faecium. Authors: Wiltsie, V. / Travis, S. / Shay, M.R. / Simmons, Z. / Frantom, P. / Thompson, M.K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 73 KB | Display | ![]() |
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PDB format | ![]() | 53.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2 MB | Display | ![]() |
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Full document | ![]() | 2 MB | Display | |
Data in XML | ![]() | 13.4 KB | Display | |
Data in CIF | ![]() | 18 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4jh2S S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 16441.418 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-EDO / #4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.32 Å3/Da / Density % sol: 46.97 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 20 mg/mL protein in 20mM HEPES pH7.5, 38% PEG MME 550, 150mM Magnesium Chloride |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU / Detector: CCD / Date: Jun 24, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2→23.8 Å / Num. obs: 21556 / % possible obs: 99.7 % / Redundancy: 18.1 % / Biso Wilson estimate: 30.7 Å2 / Rmerge(I) obs: 0.102 / Net I/σ(I): 1.74 |
Reflection shell | Resolution: 2→2.07 Å / Rmerge(I) obs: 0.745 / Num. unique obs: 2159 |
-Phasing
Phasing | Method: ![]() |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: 4JH2 Resolution: 2→23.8 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.93 / SU B: 5.343 / SU ML: 0.143 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.2 / ESU R Free: 0.175 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 75.84 Å2 / Biso mean: 31.256 Å2 / Biso min: 17.13 Å2
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Refinement step | Cycle: final / Resolution: 2→23.8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.052 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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