In silico discovery of selenocysteine-containing variants of Group 4 [NiFe] hydrogenases
[NiFe] hydrogenases reversibly catalyze hydrogen oxidation and proton reduction at a Ni–Fe active site coordinated by four cysteine (Cys) residues in two CXXC motifs within the catalytic large subunit. A subset of these enzymes contains selenocysteine (Sec) in place of Cys in the C-terminal CXXC motif, forming [NiFeSe]...