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- PDB-6qwc: Crystal structure of KPC-4 complexed with relebactam (1 hour soak) -
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Open data
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Basic information
Entry | Database: PDB / ID: 6qwc | ||||||
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Title | Crystal structure of KPC-4 complexed with relebactam (1 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 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 | ![]() | 175.3 KB | Display | ![]() |
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PDB format | ![]() | 140.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 750.9 KB | Display | ![]() |
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Full document | ![]() | 751.3 KB | Display | |
Data in XML | ![]() | 14.5 KB | Display | |
Data in CIF | ![]() | 22 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6qw7C ![]() 6qw8C ![]() 6qw9C ![]() 6qwaC ![]() 6qwbC ![]() 6qwdC ![]() 6qweC ![]() 5ul8S 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 on special symmetry positions |
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Components
#1: Protein | Mass: 30824.627 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: B1PL86, UniProt: Q9F663*PLUS, beta-lactamase | ||||||
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#2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-GOL / | #4: Chemical | ChemComp-MK7 / ( | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.15 Å3/Da / Density % sol: 42.77 % |
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Crystal grow | Temperature: 294.15 K / Method: vapor diffusion, sitting drop / Details: 2.0 M Ammonium sulphate, 5% ethanol |
-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: Oct 22, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.78 Å / Relative weight: 1 |
Reflection | Resolution: 1.3→55.75 Å / Num. obs: 75907 / % possible obs: 100 % / Redundancy: 12 % / Rpim(I) all: 0.053 / Net I/σ(I): 9.8 |
Reflection shell | Resolution: 1.3→1.32 Å / Mean I/σ(I) obs: 1.6 / Num. unique obs: 3359 / Rpim(I) all: 0.931 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5UL8 Resolution: 1.3→40.899 Å / SU ML: 0.13 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 17.02
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.3→40.899 Å
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Refine LS restraints |
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LS refinement shell |
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