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. Author manuscript; available in PMC: 2022 May 9.
Published in final edited form as: J Am Chem Soc. 2021 May 27;143(22):8237–8243. doi: 10.1021/jacs.1c02323

Figure 1.

Figure 1.

(a) [FeFe] hydrogenase active site including key amino acids in the proton transfer pathway (based on the PDB 4XDC10 structure of the CpI enzyme from Clostridium pasteurianum, but using CrHydA1 sequence numbering). (b) Schematic structure of the [2Fe]H subcluster in the Hhyd state, showing the isotopically labeled nuclei 57Fe, 13C, and D (i.e. 2H). The important hydrogens, Hh (catalytic hydride at the distal Fed iron), HADT (at the ADT NADT nitrogen), and HC (at the SC C169 sulfur), are shown.