5OK4
Crystal structure of native [Fe]-hydrogenase Hmd from Methanothermobacter marburgensis inactivated by O2.
Summary for 5OK4
| Entry DOI | 10.2210/pdb5ok4/pdb |
| Descriptor | 5,10-methenyltetrahydromethanopterin hydrogenase, FE (III) ION, 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, ... (5 entities in total) |
| Functional Keywords | [fe]-hydrogenase, fe-guanylylpyridinol cofactor, h2, hydrogenase, methanogenesis, methenyl-tetrahydromethanopterin, methylene-tetrahydromethanopterin, hydrogenation, o2, inactivation, oxidoreductase |
| Biological source | Methanothermobacter marburgensis str. Marburg |
| Total number of polymer chains | 1 |
| Total formula weight | 38494.97 |
| Authors | Wagner, T.,Huang, G.,Bill, E.,Ermler, U.,Ataka, K.,Shima, S. (deposition date: 2017-07-25, release date: 2018-05-16, Last modification date: 2024-01-17) |
| Primary citation | Huang, G.,Wagner, T.,Ermler, U.,Bill, E.,Ataka, K.,Shima, S. Dioxygen Sensitivity of [Fe]-Hydrogenase in the Presence of Reducing Substrates. Angew. Chem. Int. Ed. Engl., 57:4917-4920, 2018 Cited by PubMed Abstract: Mono-iron hydrogenase ([Fe]-hydrogenase) reversibly catalyzes the transfer of a hydride ion from H to methenyltetrahydromethanopterin (methenyl-H MPT ) to form methylene-H MPT. Its iron guanylylpyridinol (FeGP) cofactor plays a key role in H activation. Evidence is presented for O sensitivity of [Fe]-hydrogenase under turnover conditions in the presence of reducing substrates, methylene-H MPT or methenyl-H MPT /H . Only then, H O is generated, which decomposes the FeGP cofactor; as demonstrated by spectroscopic analyses and the crystal structure of the deactivated enzyme. O reduction to H O requires a reductant, which can be a catalytic intermediate transiently formed during the [Fe]-hydrogenase reaction. The most probable candidate is an iron hydride species; its presence has already been predicted by theoretical studies of the catalytic reaction. The findings support predictions because the same type of reduction reaction is described for ruthenium hydride complexes that hydrogenate polar compounds. PubMed: 29462510DOI: 10.1002/anie.201712293 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.29 Å) |
Structure validation
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