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Structure paper

TitleStructural and Spectroscopic Insights into Catalytic Intermediates of a [NiFe]-hydrogenase from Group 3.
Journal, issue, pagesChembiochem, Vol. 26, Page e202500692-e202500692, Year 2025
Publish dateMay 8, 2025 (structure data deposition date)
AuthorsJespersen, M. / Lorent, C. / Lemaire, O.N. / Zebger, I. / Wagner, T.
External linksChembiochem / PubMed:41078086
MethodsX-ray diffraction
Resolution1.65 - 3.13 Å
Structure data

PDB-9r51:
Dimeric state of the F420-reducing hydrogenase from Methanothermococcus thermolithotrophicus in crystalline form 1
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-9r52:
Dimeric state of the F420-reducing hydrogenase from Methanothermococcus thermolithotrophicus in crystalline form 2
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-9r5i:
Dimeric state of the F420-reducing hydrogenase from Methanothermococcus thermolithotrophicus in crystalline form 3
Method: X-RAY DIFFRACTION / Resolution: 3.13 Å

PDB-9r6z:
Cubic state of the F420-reducing hydrogenase from Methanothermococcus thermolithotrophicus
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

Chemicals

ChemComp-NFU:
formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni)

ChemComp-NA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-FE:
Unknown entry

ChemComp-SF4:
IRON/SULFUR CLUSTER

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-CL:
Unknown entry

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PE4:
2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / precipitant*YM

ChemComp-FES:
FE2/S2 (INORGANIC) CLUSTER

Source
  • methanothermococcus thermolithotrophicus dsm 2095 (archaea)
KeywordsOXIDOREDUCTASE / [NiFe]-hydrogenase / redox cycle / catalysis / [4Fe-4S]-cluster / F420 cofactor / FAD / hydrogen activation / thermophilic methanogen

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