Molecular dynamics calculations of wild type vs. mutant protein C: Relationship between binding affinity to endothelial cell protein C receptor and hereditary disease

被引：3
|
作者：
Nakagawa, Takafumi
Shikamoto, Yasuo
Mizuno, Hiroshi
Murase, Tadashi
Ishii, Hajime
Nakabayashi, Toru
Ieko, Masahiro
Mizukami, Kazuhiro
Naitoh, Sumiyoshi
Takeda, Mika
Tarumi, Takashi
Kaneko, Hiroki [1 ]
机构：
[1] Nihon Univ, Coll Humanities & Sci, Dept Integrated Sci Phys & Biol, Tokyo 1568850, Japan
[2] NEC Soft Ltd, VALWAY Technol Ctr, Tokyo, Japan
[3] Hlth Sci Univ Hokkaido, Sch Dent, Dept Internal Med, Ishikari, Hokkaido 06102, Japan
[4] Hlth Sci Univ Hokkaido, Sch Dent, Dept Clin Lab, Ishikari, Hokkaido 06102, Japan
[5] Hlth Sci Univ Hokkaido, Sch Dent, Dept Orthodont, Ishikari, Hokkaido 06102, Japan
来源：
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 2006年 / 24卷 / 03期
关键词：
D O I：
10.1080/07391102.2006.10507113
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
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.
引用
收藏
页码：203 / 207
页数：5
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