TRAP220 共激活因子与视黄酸 X 受体α结合的分子机制的理论研究，受 9-顺式维甲酸激活。
Theoretical study of molecular mechanism of binding TRAP220 coactivator to Retinoid X Receptor alpha, activated by 9-cis retinoic acid.
机构信息
Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.
出版信息
J Steroid Biochem Mol Biol. 2010 Jul;121(1-2):124-9. doi: 10.1016/j.jsbmb.2010.03.086. Epub 2010 Apr 14.
Abstract
Study on molecular mechanism of conformational reorientation of RXR-alpha ligand binding domain is presented. We employed CABS--a reduced model of protein dynamics to model folding pathways of binding 9-cis retinoic acid to apo-RXR molecule and TRAP220 peptide fragment to the holo form. Based on obtained results we also propose a sequential model of RXR activation by 9-cis retinoic acid and TRAP220 coactivator. Methodology presented here may be used for investigation of binding pathways of other NR/hormone/cofactor sets.
摘要
研究了 RXR-α配体结合域构象重排的分子机制。我们采用 CABS——一种简化的蛋白质动力学模型，对结合 9-顺式视黄酸到 apo-RXR 分子和全酶形式的 TRAP220 肽片段的折叠途径进行建模。基于获得的结果，我们还提出了 9-顺式视黄酸和 TRAP220 共激活剂激活 RXR 的顺序模型。本文提出的方法可用于研究其他 NR/激素/辅因子对的结合途径。
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