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- PDB-9hhs: Crystal Structure of the Coxiella burnetii R152Q Mutant 2-methyli... -
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Open data
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Basic information
Entry | Database: PDB / ID: 9hhs | ||||||
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Title | Crystal Structure of the Coxiella burnetii R152Q Mutant 2-methylisocitrate lyase | ||||||
![]() | 2-methylisocitrate lyase | ||||||
![]() | CYTOSOLIC PROTEIN / PrpB / methylisocitrate lyase / carbon-carbon lyase / EC 4.1.3.30 | ||||||
Function / homology | ![]() methylisocitrate lyase / propionate catabolic process, 2-methylcitrate cycle / methylisocitrate lyase activity / magnesium ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Stuart, W. / Isupov, M. / Harmer, N.J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structure and catalytic mechanism of methylisocitrate lyase, a potential drug target against Coxiella burnetii. Authors: Stuart, W.S. / Jenkins, C.H. / Ireland, P.M. / Isupov, M.N. / Norville, I.H. / Harmer, N.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 | ![]() | 133.8 KB | Display | ![]() |
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PDB format | ![]() | 103.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 472 KB | Display | ![]() |
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Full document | ![]() | 477.3 KB | Display | |
Data in XML | ![]() | 29.9 KB | Display | |
Data in CIF | ![]() | 40.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 9hgkC ![]() 9hgoC ![]() 9hgqC ![]() 9hhyC ![]() 9hraC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 34329.102 Da / Num. of mol.: 2 / Mutation: R152Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-CIT / | #3: Chemical | ChemComp-EDO / #4: Chemical | ChemComp-CL / | #5: Water | ChemComp-HOH / | Has ligand of interest | N | Has protein modification | N | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.12 Å3/Da / Density % sol: 41.91 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 4.2 Details: 10% v/v EtOH, 0.1 M sodium-citrate pH 4.2, 1% w/w PEG 1000 |
-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 5, 2024 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9999 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→52.58 Å / Num. obs: 65204 / % possible obs: 100 % / Redundancy: 9.4 % / CC1/2: 0.9995 / Net I/σ(I): 17.62 |
Reflection shell | Resolution: 1.7→1.73 Å / Num. unique obs: 3221 / CC1/2: 0.3025 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 55.771 Å2
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Refinement step | Cycle: 1 / Resolution: 1.7→52.58 Å
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Refine LS restraints |
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