4Q1W

Mutations Outside the Active Site of HIV-1 Protease Alter Enzyme Structure and Dynamic Ensemble of the Active Site to Confer Drug Resistance

4Q1W の概要

• エントリーDOI: 10.2210/pdb4q1w/pdb
• 関連するPDBエントリー: 4Q1X 4Q1Y
• 分子名称: ASPARTYL PROTEASE, PHOSPHATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ... (5 entities in total)
• 機能のキーワード: hiv-1 protease, aids, inhibitor complex, aspartyl protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22654.25

構造登録者

Ragland, D.A.,Nalam, M.N.L.,Cao, H.,Nalivaika, E.A.,Cai, Y.,Kurt-Yilmaz, N.,Schiffer, C.A. (登録日: 2014-04-04, 公開日: 2015-02-18, 最終更新日: 2024-02-28)

• 主引用文献: Ragland, D.A.,Nalivaika, E.A.,Nalam, M.N.,Prachanronarong, K.L.,Cao, H.,Bandaranayake, R.M.,Cai, Y.,Kurt-Yilmaz, N.,Schiffer, C.A.; Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.; J.Am.Chem.Soc., 136:11956-11963, 2014; PubMed: 25091085; DOI: 10.1021/ja504096m

実験手法

X-RAY DIFFRACTION (1.85 Å)