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- PDB-8qfq: Ergothioneine dioxygenase, variant H147A, from Thermocatellispora... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8qfq | ||||||
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Title | Ergothioneine dioxygenase, variant H147A, from Thermocatellispora tengchongensis in complex with manganese | ||||||
![]() | Cysteine dioxygenase | ||||||
![]() | OXIDOREDUCTASE / thiol dioxygenase Ergothioneine Dioxygenase | ||||||
Function / homology | ![]() cysteine dioxygenase activity / L-cysteine catabolic process / ferrous iron binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Vasseur, C.M. / Seebeck, F.P. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Enzyme-Catalyzed Oxidative Degradation of Ergothioneine. Authors: Nalivaiko, E.Y. / Vasseur, C.M. / Seebeck, F.P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 80.8 KB | Display | ![]() |
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PDB format | ![]() | 58.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 3.1 MB | Display | ![]() |
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Full document | ![]() | 3.1 MB | Display | |
Data in XML | ![]() | 15.9 KB | Display | |
Data in CIF | ![]() | 21.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8qflC ![]() 8qfmC ![]() 8qfnC ![]() 8qfoC ![]() 8qfpC 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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Unit cell |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 20636.957 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: H147A mutant Source: (gene. exp.) ![]() Gene: HNP84_002159 / Production host: ![]() ![]() |
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-Non-polymers , 6 types, 154 molecules ![](data/chem/img/MN.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | ChemComp-PGE / | #4: Chemical | ChemComp-ACT / #5: Chemical | #6: Chemical | ChemComp-MG / | #7: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.14 Å3/Da / Density % sol: 42.52 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.2 M magnesium acetate tetrahydrate 0.1 M sodium cacodylate, pH 6.5 20% w/v PEG 8000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 20, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→44.4 Å / Num. obs: 42811 / % possible obs: 99.94 % / Redundancy: 2 % / CC1/2: 0.999 / CC star: 1 / Net I/σ(I): 17.95 |
Reflection shell | Resolution: 2.1→2.175 Å / Num. unique obs: 4207 / CC1/2: 0.947 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.1→44.4 Å
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Refine LS restraints |
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LS refinement shell |
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