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- PDB-7a0l: Joint neutron/X-ray room temperature structure of perdeuterated A... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7a0l | ||||||
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Title | Joint neutron/X-ray room temperature structure of perdeuterated Aspergillus flavus urate oxidase in complex with the 8-azaxanthine inhibitor and catalytic water bound in the peroxo hole | ||||||
![]() | Uricase | ||||||
![]() | OXIDOREDUCTASE / COFACTOR-FREE OXIDASE / INHIBITOR / CATALYTIC WATER / DIOXYGEN BINDING | ||||||
Function / homology | ![]() purine nucleobase catabolic process / factor-independent urate hydroxylase / urate oxidase activity / urate catabolic process / peroxisome Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | McGregor, L. / Bui, S. / Blakeley, M.P. / Steiner, R.A. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulations provide insight into the hydration step of catalysis. Authors: McGregor, L. / Foldes, T. / Bui, S. / Moulin, M. / Coquelle, N. / Blakeley, M.P. / Rosta, E. / Steiner, R.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 256.9 KB | Display | ![]() |
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PDB format | ![]() | 187.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 443.1 KB | Display | ![]() |
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Full document | ![]() | 443.3 KB | Display | |
Data in XML | ![]() | 7.9 KB | Display | |
Data in CIF | ![]() | 14 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4d12S S: Starting model for refinement |
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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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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 34288.742 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q00511, factor-independent urate hydroxylase |
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#2: Chemical | ChemComp-AZA / |
#3: Chemical | ChemComp-NA / |
#4: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment |
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Sample preparation
Crystal | Density Matthews: 2.98 Å3/Da / Density % sol: 58.7 % |
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Crystal grow | Temperature: 291 K / Method: batch mode / pH: 7.6 / Details: TRIS-Acetate, PEG 8000, 8AZA |
-Data collection
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Detector |
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Radiation |
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Radiation wavelength |
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Reflection | Biso Wilson estimate: 16.6 Å2 / Entry-ID: 7A0L
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Reflection shell |
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Processing
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Refinement |
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Refinement step | Cycle: LAST / Resolution: 1.33→35.51 Å
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Refine LS restraints |
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LS refinement shell |
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