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- PDB-6qw8: Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak) -
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Open data
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Basic information
Entry | Database: PDB / ID: 6qw8 | ||||||
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Title | Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak) | ||||||
![]() | Beta-lactamase | ||||||
![]() | ANTIMICROBIAL PROTEIN / inhibitor / relebactam / diazabicyclooctane / antibiotic resistance. | ||||||
Function / homology | ![]() beta-lactam antibiotic catabolic process / beta-lactamase activity / beta-lactamase / response to antibiotic / membrane Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tooke, C.L. / Hinchliffe, P. / Spencer, J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Authors: Tooke, C.L. / Hinchliffe, P. / Lang, P.A. / Mulholland, A.J. / Brem, J. / Schofield, C.J. / 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 | ![]() | 179.1 KB | Display | ![]() |
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PDB format | ![]() | 142.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1 MB | Display | ![]() |
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Full document | ![]() | 1 MB | Display | |
Data in XML | ![]() | 16 KB | Display | |
Data in CIF | ![]() | 24.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6qw7C ![]() 6qw9C ![]() 6qwaC ![]() 6qwbC ![]() 6qwcC ![]() 6qwdC ![]() 6qweC ![]() 4hbtS 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: 28292.990 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: G3G192, UniProt: W1EPV7*PLUS, beta-lactamase | ||||
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#2: Chemical | ChemComp-MK7 / ( | ||||
#3: Chemical | #4: Chemical | ChemComp-GOL / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.11 Å3/Da / Density % sol: 41.83 % |
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Crystal grow | Temperature: 294.15 K / Method: vapor diffusion, sitting drop / Details: 2.0 M ammonium sulphate, 0.1 M Tris 8.0 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: May 6, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 1.1→44.54 Å / Num. obs: 97874 / % possible obs: 99.7 % / Redundancy: 11.9 % / Rpim(I) all: 0.029 / Net I/σ(I): 19.3 |
Reflection shell | Resolution: 1.1→1.12 Å / Mean I/σ(I) obs: 5.9 / Num. unique obs: 4521 / Rpim(I) all: 0.145 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4HBT Resolution: 1.1→42.5 Å / SU ML: 0.06 / Cross valid method: FREE R-VALUE / σ(F): 1.51 / Phase error: 9.78
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.1→42.5 Å
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Refine LS restraints |
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LS refinement shell |
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