Role of Protein Motions in Catalysis by Formate Dehydrogenase.
Journal
The journal of physical chemistry. B
ISSN: 1520-5207
Titre abrégé: J Phys Chem B
Pays: United States
ID NLM: 101157530
Informations de publication
Date de publication:
29 10 2020
29 10 2020
Historique:
pubmed:
17
10
2020
medline:
15
5
2021
entrez:
16
10
2020
Statut:
ppublish
Résumé
We have analyzed the reaction catalyzed by formate dehydrogenase using transition path sampling. This system has recently received experimental attention using infrared spectroscopy and heavy-enzyme studies. Some of the experimental results point to the possible importance of protein motions that are coupled to the chemical step. We found that the residue Val123 that lies behind the nicotinamide ring occasionally comes into van der Waals contact with the acceptor and that in all reactive trajectories, the barrier-crossing event is preceded by this contact, meaning that the motion of Val123 is part of the reaction coordinate. Experimental results have been interpreted with a two-dimensional formula for the chemical rate, which cannot capture effects such as the one we describe.
Identifiants
pubmed: 33064490
doi: 10.1021/acs.jpcb.0c05725
pmc: PMC7697370
mid: NIHMS1648898
doi:
Substances chimiques
Proteins
0
Formate Dehydrogenases
EC 1.17.1.9
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Langues
eng
Sous-ensembles de citation
IM
Pagination
9483-9489Subventions
Organisme : NIGMS NIH HHS
ID : P01 GM068036
Pays : United States
Organisme : NIGMS NIH HHS
ID : R01 GM127594
Pays : United States
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