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Open data
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Basic information
Entry | Database: PDB / ID: 8fum | ||||||
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Title | AibH1H2 metalated with Fe in the presence of Tris | ||||||
![]() | (Amidohydrolase) x 3 | ||||||
![]() | OXIDOREDUCTASE / alpha aminoisobutyric acid hydroxylase amidohydrolase-like dimetallic | ||||||
Function / homology | ![]() secondary metabolic process / : / : / carboxy-lyase activity / hydrolase activity / metal ion binding / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Powell, M.M. / Rittle, J. | ||||||
Funding support | 1items
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![]() | ![]() Title: Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor. Authors: Powell, M.M. / Rao, G. / Britt, R.D. / Rittle, 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 | ![]() | 1.1 MB | Display | ![]() |
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PDB format | ![]() | 903.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 540.8 KB | Display | ![]() |
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Full document | ![]() | 559.3 KB | Display | |
Data in XML | ![]() | 117.5 KB | Display | |
Data in CIF | ![]() | 174.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8fulC ![]() 8funC ![]() 8fuoC ![]() 6m2iS S: Starting model for refinement 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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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
-Protein , 3 types, 8 molecules ACEGBFHD
#1: Protein | Mass: 43992.102 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: Rhow_000804 / Production host: ![]() ![]() #2: Protein | Mass: 42288.211 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: Rhow_000803 / Production host: ![]() ![]() #3: Protein | | Mass: 42272.211 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: Rhow_000803 / Production host: ![]() ![]() |
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-Non-polymers , 6 types, 2177 molecules ![](data/chem/img/PG4.gif)
![](data/chem/img/FE.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/TRS.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/FE.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/TRS.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-PG4 / #5: Chemical | ChemComp-FE / #6: Chemical | ChemComp-MG / #7: Chemical | ChemComp-TRS / #8: Chemical | ChemComp-PEG / | #9: 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: 2.06 Å3/Da / Density % sol: 40.17 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8.7 Details: 0.16 M MgCl2, 0.08 M Tris-HCl, 20% PEG4000, 50 mM AIB |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 26, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.48→45.58 Å / Num. obs: 430996 / % possible obs: 93.72 % / Redundancy: 2.8 % / Biso Wilson estimate: 12.72 Å2 / CC1/2: 0.996 / Net I/σ(I): 7.2 |
Reflection shell | Resolution: 1.48→1.53 Å / Redundancy: 2.6 % / Num. unique obs: 42533 / CC1/2: 0.355 / % possible all: 92.58 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6M2I Resolution: 1.48→45.58 Å / SU ML: 0.137 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 18.623 / Stereochemistry target values: GEOSTD + MONOMER LIBRARY
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18.92 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.48→45.58 Å
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Refine LS restraints |
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LS refinement shell |
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