Issue December 2006

category image Volume 24
No. 3 (p 203-302)
December 2006
ISSN 0739-110

Molecular Dynamics Calculations of Wild Type vs. Mutant Protein C: Relationship Between Binding Affinity to Endothelial Cell Protein C Receptor and Hereditary Disease (p. 203-208)

Molecular dynamics simulations of the protein C γ-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.

Takafumi Nakagawa1
Yasuo Shikamoto1
Hiroshi Mizuno1
Tadashi Murase1
Hajime Ishii1
Toru Nakabayashi2
Masahiro Ieko2,3
Kazuhiro Mizukami4
Sumiyoshi Naitoh3
Mika Takeda3
Takashi Tarumi2
Hiroki Kaneko5,*

1VALWAY Technology Center
NEC Soft, Ltd.
Tokyo, Japan
2Departments of Internal Medicine
3Clinical Laboratory
4Orthodontics
School of Dentistry
Health Sciences University of Hokkaido
Ishikari-Tobetsu, Hokkaido, Japan
5Department of Integrated Sciences in Physics and Biology
College of Humanities and Sciences
Nihon University
Tokyo, 156-8850, Japan
*kaneko@phys.chs.nihon-u.ac.jp

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