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- PDB-6z7h: Structure of CTX-M-15 E166Q mutant crystallised in the presence o... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6z7h | ||||||
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Title | Structure of CTX-M-15 E166Q mutant crystallised in the presence of enmetazobactam (AAI101) | ||||||
![]() | Beta-lactamase | ||||||
![]() | ANTIMICROBIAL PROTEIN / beta-lactamase / inhibitor / antibiotic resistance / cross-link | ||||||
Function / homology | ![]() beta-lactam antibiotic catabolic process / beta-lactamase activity / beta-lactamase / response to antibiotic Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tooke, C.L. / Hinchliffe, P. / Spencer, J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Authors: Hinchliffe, P. / Tooke, C.L. / Bethel, C.R. / Wang, B. / Arthur, C. / Heesom, K.J. / Shapiro, S. / Schlatzer, D.M. / Papp-Wallace, K.M. / Bonomo, R.A. / Spencer, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 165.8 KB | Display | ![]() |
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PDB format | ![]() | 131.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 451.7 KB | Display | ![]() |
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Full document | ![]() | 453.3 KB | Display | |
Data in XML | ![]() | 14.8 KB | Display | |
Data in CIF | ![]() | 22.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6z7iC ![]() 6z7jC ![]() 6z7kC ![]() 7bdrC ![]() 7bdsC ![]() 7qq5C ![]() 7qqcC ![]() 7r3qC ![]() 7r3rC ![]() 6qw8S S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 28276.002 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||||||
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#2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-GOL / | #4: Chemical | ChemComp-CL / | #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.15 Å3/Da / Density % sol: 42.91 % |
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Crystal grow | Temperature: 292.15 K / Method: vapor diffusion, sitting drop Details: 2.0 M ammonium sulphate, 0.1 M Tris 8.0, 10mM enmetazobactam (AAI101) |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 1, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9 Å / Relative weight: 1 |
Reflection | Resolution: 1.42→45.9 Å / Num. obs: 47116 / % possible obs: 100 % / Redundancy: 13.1 % / Biso Wilson estimate: 12.66 Å2 / CC1/2: 0.997 / Rpim(I) all: 0.059 / Net I/σ(I): 8.3 |
Reflection shell | Resolution: 1.42→1.45 Å / Redundancy: 12.8 % / Mean I/σ(I) obs: 1.2 / Num. unique obs: 2382 / CC1/2: 0.427 / Rpim(I) all: 0.953 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6QW8 Resolution: 1.42→42.79 Å / SU ML: 0.15 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 15.68 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 103.39 Å2 / Biso mean: 17.0617 Å2 / Biso min: 7.05 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.42→42.79 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 17
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