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Updated: Jun 13, 2026

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches
05:56

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Published on: October 13, 2022

ケトステロイドイソメラーゼにおける陽子転移反応に対する突然変異の影響:分子動力学シミュレーションからの洞察

Dhruva K Chakravorty1, Sharon Hammes-Schiffer

  • 1Department of Chemistry, 104 Chemistry Building, Pennsylvania State University, University Park, Pennsylvania 16802, USA.

Journal of the American Chemical Society
|May 11, 2010
PubMed
まとめ

ケトステロイドイソメラーゼ (KSI) アクティブサイト残基Tyr14とAsp99の変異は,ディエノラート中間体を不安定化することによって,触媒速度を低下させます. シミュレーションにより,変異体における水素結合と静電相互作用が変化し,陽子伝送効率に影響を及ぼしていることが明らかになった.

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