{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Selvan D"],"funding":["University of Mississippi","College of Liberal Arts, University of Mississippi"],"pagination":["10317"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10299331"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["24(12)"],"pubmed_abstract":["We present a Ni<sub>p</sub> site model of acetyl coenzyme-A synthase (ACS) within a de novo-designed trimer peptide that self-assembles to produce a homoleptic Ni(Cys)<sub>3</sub> binding motif. Spectroscopic and kinetic studies of ligand binding demonstrate that Ni binding stabilizes the peptide assembly and produces a terminal Ni<sup>I</sup>-CO complex. When the CO-bound state is reacted with a methyl donor, a new species is quickly produced with new spectral features. While the metal-bound CO is albeit unactivated, the presence of the methyl donor produces an activated metal-CO complex. Selective outer sphere steric modifications demonstrate that the physical properties of the ligand-bound states are altered differently depending on the location of the steric modification above or below the Ni site."],"journal":["International journal of molecular sciences"],"pubmed_title":["A De Novo Designed Trimeric Metalloprotein as a Ni<sub>p</sub> Model of the Acetyl-CoA Synthase."],"pmcid":["PMC10299331"],"funding_grant_id":["N/A"],"pubmed_authors":["Selvan D","Chakraborty S"],"additional_accession":[]},"is_claimable":false,"name":"A De Novo Designed Trimeric Metalloprotein as a Ni<sub>p</sub> Model of the Acetyl-CoA Synthase.","description":"We present a Ni<sub>p</sub> site model of acetyl coenzyme-A synthase (ACS) within a de novo-designed trimer peptide that self-assembles to produce a homoleptic Ni(Cys)<sub>3</sub> binding motif. Spectroscopic and kinetic studies of ligand binding demonstrate that Ni binding stabilizes the peptide assembly and produces a terminal Ni<sup>I</sup>-CO complex. When the CO-bound state is reacted with a methyl donor, a new species is quickly produced with new spectral features. While the metal-bound CO is albeit unactivated, the presence of the methyl donor produces an activated metal-CO complex. Selective outer sphere steric modifications demonstrate that the physical properties of the ligand-bound states are altered differently depending on the location of the steric modification above or below the Ni site.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jun","modification":"2026-04-08T12:39:32.725Z","creation":"2025-04-07T10:22:05.429Z"},"accession":"S-EPMC10299331","cross_references":{"pubmed":["37373464"],"doi":["10.3390/ijms241210317"]}}