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- PDB-6h2h: Structure of BlaC from Mycobacterium tuberculosis covalently boun... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6h2h | ||||||
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Title | Structure of BlaC from Mycobacterium tuberculosis covalently bound to avibactam. | ||||||
![]() | Beta-lactamase | ||||||
![]() | HYDROLASE | ||||||
Function / homology | ![]() beta-lactam antibiotic catabolic process / beta-lactamase activity / beta-lactamase / response to antibiotic Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tassoni, R. / Pannu, N.S. / Ubbink, M. | ||||||
![]() | ![]() Title: New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis. Authors: Tassoni, R. / Blok, A. / Pannu, N.S. / Ubbink, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 122.1 KB | Display | ![]() |
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PDB format | ![]() | 89.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.9 MB | Display | ![]() |
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Full document | ![]() | 2 MB | Display | |
Data in XML | ![]() | 22.5 KB | Display | |
Data in CIF | ![]() | 31.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6h27C ![]() 6h28C ![]() 6h2aC ![]() 6h2cC ![]() 6h2gC ![]() 6h2iC ![]() 6h2kC ![]() 2gdnS 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: ALA / End label comp-ID: ALA / Refine code: _ / Auth seq-ID: 28 - 293 / Label seq-ID: 1 - 266
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Components
#1: Protein | Mass: 29475.061 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: A0A0T9EA39, UniProt: A0A655AHQ9*PLUS, beta-lactamase #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.04 Å3/Da / Density % sol: 39.84 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop Details: 0.1 M sodium acetate buffer, pH 5.0 25% w/v PEG1500 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER R 4M / Detector: PIXEL / Date: Nov 7, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9677 Å / Relative weight: 1 |
Reflection | Resolution: 1.62→73.82 Å / Num. obs: 51765 / % possible obs: 87.3 % / Redundancy: 3.9 % / CC1/2: 0.994 / Rpim(I) all: 0.089 / Net I/σ(I): 5.8 |
Reflection shell | Resolution: 1.62→1.65 Å / Redundancy: 3.9 % / Mean I/σ(I) obs: 1.3 / Num. unique obs: 1460 / CC1/2: 0.578 / Rpim(I) all: 0.652 / % possible all: 49.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2GDN Resolution: 1.62→73.82 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.929 / SU B: 3.496 / SU ML: 0.108 / Cross valid method: THROUGHOUT / ESU R: 0.131 / ESU R Free: 0.124 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: 14.727 Å2
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Refinement step | Cycle: 1 / Resolution: 1.62→73.82 Å
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Refine LS restraints |
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