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Updated: Jun 12, 2026

The Importance of Correct Protein Concentration for Kinetics and Affinity Determination in Structure-function Analysis
Published on: March 18, 2010
Molecular dynamics calculations of wild type vs. mutant protein C: relationship between binding affinity to
Takafumi Nakagawa1, Yasuo Shikamoto, Hiroshi Mizuno
1VALWAY Technology Center, NEC Soft, Ltd., Tokyo, Japan.
Abstract:
Molecular dynamics simulations of the protein C gamma-carboxyglutamic acid (Gla) domain and endothelial cell protein C receptor (EPCR) complex were performed to determine the effect of a hereditary disease, which results in a mutation (Gla 25 --> Lys) in the protein C Gla domain. Our results suggest that the Gla 25 --> Lys mutation causes a significant reduction in the binding force between protein C Gla domain and EPCR due to destabilization of the helix structure of EPCR and displacement of a Ca2+ ion.
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