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- PDB-6hf5: Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6hf5 | ||||||
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Title | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431 Inhibitor | ||||||
![]() | Beta-lactamase class B VIM-2 | ||||||
![]() | HYDROLASE / metallo-beta-lactamase fold / zinc-dependent hydrolase / PFam00753 / alpha-beta-beta-alpha sandwich | ||||||
Function / homology | ![]() antibiotic catabolic process / beta-lactamase / hydrolase activity / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Docquier, J.D. / Pozzi, C. / De Luca, F. / Benvenuti, M. / Mangani, S. | ||||||
![]() | ![]() Title: SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy ...Title: SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model. Authors: Leiris, S. / Coelho, A. / Castandet, J. / Bayet, M. / Lozano, C. / Bougnon, J. / Bousquet, J. / Everett, M. / Lemonnier, M. / Sprynski, N. / Zalacain, M. / Pallin, T.D. / Cramp, M.C. / ...Authors: Leiris, S. / Coelho, A. / Castandet, J. / Bayet, M. / Lozano, C. / Bougnon, J. / Bousquet, J. / Everett, M. / Lemonnier, M. / Sprynski, N. / Zalacain, M. / Pallin, T.D. / Cramp, M.C. / Jennings, N. / Raphy, G. / Jones, M.W. / Pattipati, R. / Shankar, B. / Sivasubrahmanyam, R. / Soodhagani, A.K. / Juventhala, R.R. / Pottabathini, N. / Pothukanuri, S. / Benvenuti, M. / Pozzi, C. / Mangani, S. / De Luca, F. / Cerboni, G. / Docquier, J.D. / Davies, D.T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 61.6 KB | Display | ![]() |
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PDB format | ![]() | 43.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 827.3 KB | Display | ![]() |
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Full document | ![]() | 828.3 KB | Display | |
Data in XML | ![]() | 12 KB | Display | |
Data in CIF | ![]() | 16.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5mxqC ![]() 5mxrSC C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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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: 24679.439 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: blaVIM-2, bla vim-2, bla-VIM-2, blasVIM-2, blaVIM2, VIM-2, vim-2, DI492_33875 Plasmid: pET-9a / Production host: ![]() ![]() | ||||||
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#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-G1N / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 41.44 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.1 M cacodylate, 0.2 M Na-acetate, 5 mM DTT, 26% PEG8000 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Apr 30, 2018 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.91587 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→51.32 Å / Num. obs: 19621 / % possible obs: 100 % / Redundancy: 7.4 % / Rmerge(I) obs: 0.058 / Net I/σ(I): 16.2 |
Reflection shell | Resolution: 1.8→1.9 Å / Redundancy: 7.5 % / Mean I/σ(I) obs: 3.4 / Num. unique obs: 2800 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5MXR Resolution: 1.8→51.32 Å / Cross valid method: FREE R-VALUE
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Displacement parameters | Biso mean: 33.083 Å2 | ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→51.32 Å
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