2023
DOI: 10.1016/j.jinorgbio.2022.112098
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The two-electron reduced A cluster in acetyl-CoA synthase: Preparation, characteristics and mechanistic implications

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Cited by 4 publications
(3 citation statements)
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“…A ring critical point is found between one of the Fe-S edges of the cluster and the Cys488-Nip bond, forming a 4-membered ring resembling one of the faces of the cubane. Previous experimental and theoretical studies proposed significant rearrangements between tetrahedral and square planar geometries during catalysis (42). Based on our calculations, it is feasible that a low-valent Nip is coordinated by a sulfide of the [4Fe-4S] cluster, generating the extended cubane structure observed in the experiment.…”
Section: Methyl Transfer Reaction Through B12 Domain Motionsupporting
confidence: 61%
“…A ring critical point is found between one of the Fe-S edges of the cluster and the Cys488-Nip bond, forming a 4-membered ring resembling one of the faces of the cubane. Previous experimental and theoretical studies proposed significant rearrangements between tetrahedral and square planar geometries during catalysis (42). Based on our calculations, it is feasible that a low-valent Nip is coordinated by a sulfide of the [4Fe-4S] cluster, generating the extended cubane structure observed in the experiment.…”
Section: Methyl Transfer Reaction Through B12 Domain Motionsupporting
confidence: 61%
“…In addition, five subunits of CODH/ACS from some Methanosarcina species were detected: the α2 subunit (A0A0E3LTN4; 41 P, 3 UP) of M. mazei Goe1, β1 subunit (A0A0E3NLE4; 38 P, 12 UP) of M. thermophila , δ subunit (A0A0E3LEU3; 26 P, 5 UP) of M. mazei WWM610, and ε subunit (A0A0E3LSW0; 19 P, 8 UP) of M. mazei SarPi ( Table S5 ). This complex has been reported in the oligomeric form α 6 β 6 γ 6 δ 6 ε 6 and catalyzes the formation/cleavage of the acetyl C–C bond of acetyl-CoA by an Ni and Fe 4 S 4 catalytic site using a two-electron reduction with a negative potential of −495 mV [ 46 ].…”
Section: Resultsmentioning
confidence: 99%
“…Renewed interest in the ACS active site signifies the necessity for new model compounds in the development of catalysts that can valorize CO 2 into fuels. [34][35][36] Ongoing studies will leverage the knowledge obtained in this study towards bimetallic activation of small molecules.…”
Section: Dalton Transactions Papermentioning
confidence: 99%