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Yorodumi- PDB-8qmm: M291I variant of the [FeFe]-hydrogenase maturase HydE from Thermo... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8qmm | |||||||||
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Title | M291I variant of the [FeFe]-hydrogenase maturase HydE from Thermotoga maritima | |||||||||
Components | [FeFe] hydrogenase maturase subunit HydE | |||||||||
Keywords | METAL BINDING PROTEIN / [FeFe]-hydrogenase / Radical SAM enzyme / H-cluster / Complex-B / iron-sulfur cluster | |||||||||
Function / homology | Function and homology information water-soluble vitamin biosynthetic process / : / sulfur compound biosynthetic process / : / Oxidoreductases; Acting on a sulfur group of donors / : / organonitrogen compound biosynthetic process / 2 iron, 2 sulfur cluster binding / 4 iron, 4 sulfur cluster binding / transferase activity ...water-soluble vitamin biosynthetic process / : / sulfur compound biosynthetic process / : / Oxidoreductases; Acting on a sulfur group of donors / : / organonitrogen compound biosynthetic process / 2 iron, 2 sulfur cluster binding / 4 iron, 4 sulfur cluster binding / transferase activity / oxidoreductase activity / metal ion binding Similarity search - Function | |||||||||
Biological species | Thermotoga maritima MSB8 (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.2 Å | |||||||||
Authors | Omeiri, J. / Martin, L. / Usclat, A. / Cherrier, M.V. / Nicolet, Y. | |||||||||
Funding support | France, 2items
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Citation | Journal: Angew.Chem.Int.Ed.Engl. / Year: 2023 Title: Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE. Authors: Omeiri, J. / Martin, L. / Usclat, A. / Cherrier, M.V. / Nicolet, Y. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8qmm.cif.gz | 200.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8qmm.ent.gz | 156 KB | Display | PDB format |
PDBx/mmJSON format | 8qmm.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qm/8qmm ftp://data.pdbj.org/pub/pdb/validation_reports/qm/8qmm | HTTPS FTP |
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-Related structure data
Related structure data | 8qmkC 8qmlC 8qmnC C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | [ Mass: 40991.348 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermotoga maritima MSB8 (bacteria) / Gene: TM_1269, THEMA_07990, Tmari_1274 / Production host: Escherichia coli (E. coli) References: UniProt: Q9X0Z6, Oxidoreductases; Acting on a sulfur group of donors |
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-Non-polymers , 6 types, 552 molecules
#2: Chemical | ChemComp-CPS / | ||||
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#3: Chemical | ChemComp-SAH / | ||||
#4: Chemical | ChemComp-SF4 / | ||||
#5: Chemical | ChemComp-CL / #6: Chemical | #7: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | N |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.25 Å3/Da / Density % sol: 45.22 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: PEG 4000, Thirs ph 8, LiSO4 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.8856 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 7, 2023 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8856 Å / Relative weight: 1 |
Reflection | Resolution: 1.2→51 Å / Num. obs: 115093 / % possible obs: 98.8 % / Redundancy: 3.3 % / CC1/2: 0.998 / Net I/σ(I): 12.96 |
Reflection shell | Resolution: 1.2→1.23 Å / Num. unique obs: 15282 / CC1/2: 0.465 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.2→50.39 Å / Cor.coef. Fo:Fc: 0.984 / Cor.coef. Fo:Fc free: 0.978 / SU B: 1.275 / SU ML: 0.025 / Cross valid method: THROUGHOUT / ESU R: 0.034 / ESU R Free: 0.034 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18.182 Å2
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Refinement step | Cycle: 1 / Resolution: 1.2→50.39 Å
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