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- PDB-8ai5: Crystal structure of radical SAM epimerase EpeE C223A mutant from... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8ai5 | |||||||||
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Title | Crystal structure of radical SAM epimerase EpeE C223A mutant from Bacillus subtilis with [4Fe-4S] clusters, S-adenosyl-L-homocysteine and RiPP peptide 6 bound | |||||||||
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![]() | METAL BINDING PROTEIN / ![]() ![]() ![]() | |||||||||
Function / homology | ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Polsinelli, I. / Fyfe, C.D. / Legrand, P. / Kubiak, X. / Chavas, L.M.G. / Berteau, O. / Benjdia, A. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structural and mechanistic basis for RiPP epimerization by a radical SAM enzyme. Authors: Kubiak, X. / Polsinelli, I. / Chavas, L.M.G. / Fyfe, C.D. / Guillot, A. / Fradale, L. / Brewee, C. / Grimaldi, S. / Gerbaud, G. / Thureau, A. / Legrand, P. / Berteau, O. / Benjdia, A. #1: ![]() Title: Post-translational modification of ribosomally synthesized peptides by a radical SAM epimerase in Bacillus subtilis Authors: Benjdia, A. / Guillot, A. / Ruffie, P. / Leprince, J. / Berteau, O. | |||||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 299.9 KB | Display | ![]() |
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PDB format | ![]() | 242.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 8ai1C ![]() 8ai2C ![]() 8ai3C ![]() 8ai4C ![]() 8ai6C 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 / Protein/peptide , 2 types, 4 molecules ABCD
#1: Protein | Mass: 39920.379 Da / Num. of mol.: 2 / Mutation: C223A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Protein/peptide | Mass: 1299.459 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) ![]() ![]() ![]() |
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-Non-polymers , 5 types, 214 molecules ![](data/chem/img/SF4.gif)
![](data/chem/img/SAH.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SAH.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-SF4 / ![]() #4: Chemical | ![]() #5: Chemical | ChemComp-EDO / ![]() #6: Chemical | ![]() #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: 2.83 Å3/Da / Density % sol: 56.47 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 15% (w/v) PEG 1000, 100 mM Tris |
-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: Sep 10, 2021 / Details: KB Mirrors |
Radiation | Monochromator: channel-cut Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.15→49.61 Å / Num. obs: 775084 / % possible obs: 100 % / Redundancy: 15 % / CC1/2: 1 / Rmerge(I) obs: 0.071 / Rpim(I) all: 0.019 / Rrim(I) all: 0.074 / Net I/σ(I): 18.9 |
Reflection shell | Resolution: 2.15→2.21 Å / Rmerge(I) obs: 2.909 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 51591 / CC1/2: 0.525 / Rpim(I) all: 0.815 / Rrim(I) all: 3.022 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: Fe-SAD experimental model Resolution: 2.15→46.26 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.947 / SU R Cruickshank DPI: 0.195 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.197 / SU Rfree Blow DPI: 0.156 / SU Rfree Cruickshank DPI: 0.157
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Displacement parameters | Biso mean: 70.69 Å2
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Refine analyze | Luzzati coordinate error obs: 0.28 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.15→46.26 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.15→2.17 Å
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Refinement TLS params. | Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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