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- PDB-8cgs: Crystal structure of arsenite oxidase from Alcaligenes faecalis (... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8cgs | ||||||
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Title | Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to antimony oxyanion | ||||||
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![]() | OXIDOREDUCTASE / arsenite oxidase / molybdenum cofactor / MGD / arsenic oxyanion / antimony oxyanion | ||||||
Function / homology | ![]() arsenate reductase (azurin) / arsenate reductase (azurin) activity / oxidoreductase complex / molybdopterin cofactor binding / cellular respiration / 3 iron, 4 sulfur cluster binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Engrola, F. / Correia, M.A.S. / Romao, M.J. / Santos-Silva, T. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism. Authors: Engrola, F. / Correia, M.A.S. / Watson, C. / Romao, C.C. / Veiros, L.F. / Romao, M.J. / Santos-Silva, T. / Santini, J.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 | ![]() | 842.4 KB | Display | ![]() |
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PDB format | ![]() | 672.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 9 MB | Display | ![]() |
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Full document | ![]() | 9 MB | Display | |
Data in XML | ![]() | 167.1 KB | Display | |
Data in CIF | ![]() | 247.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8ccqC ![]() 8cffC 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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2 | ![]()
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Unit cell |
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Components
-Protein , 2 types, 8 molecules ACEGBDFH
#1: Protein | Mass: 92032.719 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Protein | Mass: 14190.044 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 16 types, 3382 molecules ![](data/chem/img/MGD.gif)
![](data/chem/img/O.gif)
![](data/chem/img/4MO.gif)
![](data/chem/img/F3S.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/UJI.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/TRS.gif)
![](data/chem/img/FES.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/O.gif)
![](data/chem/img/4MO.gif)
![](data/chem/img/F3S.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/UJI.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/TRS.gif)
![](data/chem/img/FES.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-MGD / #4: Chemical | ChemComp-O / #5: Chemical | ChemComp-4MO / #6: Chemical | ChemComp-F3S / #7: Chemical | ChemComp-PEG / #8: Chemical | ChemComp-ACT / #9: Chemical | ChemComp-PO4 / #10: Chemical | ChemComp-UJI / #11: Chemical | ChemComp-CL / #12: Chemical | ChemComp-GOL / #13: Chemical | #14: Chemical | ChemComp-FES / #15: Chemical | #16: Chemical | ChemComp-SO4 / | #17: Chemical | ChemComp-NA / | #18: 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: 2.68 Å3/Da / Density % sol: 54.18 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop Details: 15% v/v PEG 4000, 0.1 M sodium citrate pH 5.5 and 0.2 M ammonium acetate |
-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: Jul 10, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.918 Å / Relative weight: 1 |
Reflection | Resolution: 1.84→48.47 Å / Num. obs: 365490 / % possible obs: 95.3 % / Redundancy: 2 % / CC1/2: 0.993 / Net I/σ(I): 4.2 |
Reflection shell | Resolution: 1.84→1.87 Å / Num. unique obs: 17998 / CC1/2: 0.848 |
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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: 20.392 Å2
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Refinement step | Cycle: 1 / Resolution: 1.84→116.27 Å
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Refine LS restraints |
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