近期对因子 VIIa（FVIIa）/组织因子（TF）和因子 Xa（FXa）三元复合物结构的估算。
Recent estimates of the structure of the factor VIIa (FVIIa)/tissue factor (TF) and factor Xa (FXa) ternary complex.
机构信息
Department of Chemistry, University of North Carolina, Chapel Hill, NC 27599-3290, USA.
出版信息
Thromb Res. 2010 Apr;125 Suppl 1:S7-S10. doi: 10.1016/j.thromres.2010.01.022. Epub 2010 Feb 13.
Abstract
The putative structure of the Tissue Factor/Factor VIIa/Factor Xa (TF/FVIIa/FXa) ternary complex is reconsidered. Two independently derived docking models proposed in 2003 (one for our laboratory: CHeA and one from the Scripps laboratory: Ss) are dynamically equilibrated for over 10 ns in an electrically neutral solution using all-atom molecular dynamics. Although the dynamical models (CHeB and Se) differ in atomic detail, there are similarities in that TF is found to interact with the gamma-carboxyglutamic acid (Gla) and Epidermal Growth Factor-like 1 (EGF-1) domains of FXa, and FVIIa is found to interact with the Gla, EGF-2 and serine protease (SP) domains of FXa in both models. FVIIa does not interact with the FXa EGF-1 domain in Se and the EGF domains of FVIIa do not interact with FXa in the CHeB. Both models are consistent with experimentally suggested contacts between the SP domain of FVIIa with the EGF-2 and SP domains of FXa.
摘要
重新考虑组织因子/因子 VIIa/因子 Xa（TF/FVIIa/FXa）三元复合物的假定结构。2003 年提出的两个独立的对接模型（一个来自我们实验室：CHeA，另一个来自斯克里普斯实验室：Ss）在电中性溶液中使用全原子分子动力学进行了超过 10 ns 的动态平衡。尽管动力学模型（CHeB 和 Se）在原子细节上有所不同，但它们有一些相似之处，即 TF 被发现与 FXa 的 γ-羧基谷氨酸（Gla）和表皮生长因子样 1（EGF-1）结构域相互作用，FVIIa 被发现与 FXa 的 Gla、EGF-2 和丝氨酸蛋白酶（SP）结构域相互作用在这两种模型中。在 Se 中，FVIIa 不与 FXa 的 EGF-1 结构域相互作用，而在 CHeB 中，FVIIa 的 EGF 结构域不与 FXa 相互作用。这两个模型都与实验中提出的 FVIIa 的 SP 结构域与 FXa 的 EGF-2 和 SP 结构域之间的接触一致。
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2
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Nucleic Acids Res. 2007 Jul;35(Web Server issue):W473-6. doi: 10.1093/nar/gkm423. Epub 2007 Jun 21.
3
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Biochemistry. 2007 Mar 20;46(11):3193-9. doi: 10.1021/bi6025193. Epub 2007 Feb 27.
4
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FEBS Lett. 2007 Jan 9;581(1):71-6. doi: 10.1016/j.febslet.2006.11.079. Epub 2006 Dec 11.
5
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J Biol Chem. 2006 Aug 25;281(34):24873-88. doi: 10.1074/jbc.M509971200. Epub 2006 Jun 6.
6
A cell-based model of thrombin generation.
Semin Thromb Hemost. 2006 Apr;32 Suppl 1:32-8. doi: 10.1055/s-2006-939552.
7
Activity, folding, misfolding, and aggregation in vitro of the naturally occurring human tissue factor mutant R200W.
Biochemistry. 2005 May 10;44(18):6755-63. doi: 10.1021/bi047388l.
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