+Open data
-Basic information
Entry | Database: PDB / ID: 5kmu | ||||||
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Title | CTX-M-9 beta lactamase mutant - T165W | ||||||
Components | Beta-lactamase | ||||||
Keywords | HYDROLASE / beta lactamase / ESBL | ||||||
Function / homology | Function and homology information beta-lactam antibiotic catabolic process / beta-lactamase activity / beta-lactamase / response to antibiotic Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Latallo, M. / Faham, S. / Kasson, P.M. | ||||||
Funding support | United States, 1items
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Citation | Journal: Chem Sci / Year: 2017 Title: Predicting allosteric mutants that increase activity of a major antibiotic resistance enzyme. Authors: Latallo, M.J. / Cortina, G.A. / Faham, S. / Nakamoto, R.K. / Kasson, P.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5kmu.cif.gz | 110.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5kmu.ent.gz | 83.9 KB | Display | PDB format |
PDBx/mmJSON format | 5kmu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/km/5kmu ftp://data.pdbj.org/pub/pdb/validation_reports/km/5kmu | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 30965.244 Da / Num. of mol.: 1 / Mutation: T165W Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: blaCTX-M-9a, blaCTX-M-9, blaCTX-M-9b / Production host: Escherichia coli (E. coli) / References: UniProt: Q9L5C8, beta-lactamase | ||||||
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#2: Chemical | ChemComp-PO4 / #3: Chemical | ChemComp-CL / | #4: Chemical | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.92 Å3/Da / Density % sol: 35.9 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 8.2 / Details: 0.7 M potassium phosphate, 18% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 0.97121 Å |
Detector | Type: RAYONIX MX300-HS / Detector: CCD / Date: Jun 6, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97121 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→32.95 Å / Num. obs: 20959 / % possible obs: 95.52 % / Redundancy: 6.7 % / Net I/σ(I): 17.4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.8→32.95 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.951 / SU B: 4.461 / SU ML: 0.07 / Cross valid method: THROUGHOUT / ESU R: 0.13 / ESU R Free: 0.113 Details: Hydrogens were added and refined using a riding model.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.342 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→32.95 Å
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Refine LS restraints |
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