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TitleX-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 58, Page 18710-18714, Year 2019
Publish dateJan 12, 2019 (structure data deposition date)
AuthorsIlina, Y. / Lorent, C. / Katz, S. / Jeoung, J.H. / Shima, S. / Horch, M. / Zebger, I. / Dobbek, H.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:31591784
MethodsX-ray diffraction
Resolution1.839 - 2.28 Å
Structure data

PDB-6qgr:
The F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri at the Nia-S state
Method: X-RAY DIFFRACTION / Resolution: 1.839 Å

PDB-6qgt:
The carbon monoxide inhibition of F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri
Method: X-RAY DIFFRACTION / Resolution: 1.988 Å

PDB-6qii:
Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

Chemicals

ChemComp-SF4:
IRON/SULFUR CLUSTER

ChemComp-FES:
FE2/S2 (INORGANIC) CLUSTER

ChemComp-144:
TRIS-HYDROXYMETHYL-METHYL-AMMONIUM

ChemComp-BU3:
(R,R)-2,3-BUTANEDIOL

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

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

ChemComp-FE:
Unknown entry

ChemComp-MG:
Unknown entry

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

ChemComp-HOH:
WATER

ChemComp-J52:
dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron

ChemComp-XE:
XENON

Source
  • methanosarcina barkeri ms (archaea)
KeywordsOXIDOREDUCTASE / [NiFe] containing hydrogenase / reversible oxidation of dihydrogen / oxygen sensitive / methanogenic acetoclastic Archaea / METAL BINDING PROTEIN

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