3SM2

The crystal structure of XMRV protease complexed with Amprenavir

3SM2 の概要

• エントリーDOI: 10.2210/pdb3sm2/pdb
• 関連するPDBエントリー: 3NR6 3SLZ 3SM1
• 分子名称: gag-pro-pol polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER (3 entities in total)
• 機能のキーワード: beta-sheet, protease, amprenavir, virus, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: DG-75 Murine leukemia virus
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 29196.21

構造登録者

Li, M.,Gustchina, A.,Wlodawer, A. (登録日: 2011-06-27, 公開日: 2011-10-12, 最終更新日: 2024-03-13)

主引用文献

Li, M.,Gustchina, A.,Matuz, K.,Tozser, J.,Namwong, S.,Goldfarb, N.E.,Dunn, B.M.,Wlodawer, A.
Structural and biochemical characterization of the inhibitor complexes of xenotropic murine leukemia virus-related virus protease.
Febs J., 278:4413-4424, 2011

PubMed Abstract: Interactions between the protease (PR) encoded by the xenotropic murine leukemia virus-related virus and a number of potential inhibitors have been investigated by biochemical and structural techniques. It was observed that several inhibitors used clinically against HIV PR exhibit nanomolar or even subnanomolar values of K(i) , depending on the exact experimental conditions. Both TL-3, a universal inhibitor of retroviral PRs, and some inhibitors originally shown to inhibit plasmepsins were also quite potent, whereas inhibition by pepstatin A was considerably weaker. Crystal structures of the complexes of xenotropic murine leukemia virus-related virus PR with TL-3, amprenavir and pepstatin A were solved at high resolution and compared with the structures of complexes of these inhibitors with other retropepsins. Whereas TL-3 and amprenavir bound in a predictable manner, spanning the substrate-binding site of the enzyme, two molecules of pepstatin A bound simultaneously in an unprecedented manner, leaving the catalytic water molecule in place.

PubMed: 21951660
DOI: 10.1111/j.1742-4658.2011.08364.x

実験手法

X-RAY DIFFRACTION (1.75 Å)