3EKW

Crystal structure of the inhibitor Atazanavir (ATV) in complex with a multi-drug resistance HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) Refer: FLAP+ in citation.

3EKW の概要

• エントリーDOI: 10.2210/pdb3ekw/pdb
• 関連するPDBエントリー: 3EKP 3EKQ 3EKT 3EKV 3EKX 3EKY 3EL0 3EL1 3EL4 3EL5
• 分子名称: Protease, PHOSPHATE ION, (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ... (4 entities in total)
• 機能のキーワード: hiv-1, protease, multi-drug resistance, atazanavir, aids, hydrolase
• 由来する生物種: HIV-1 M:B_ARV2/SF2 (HIV-1)
• 細胞内の位置: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03369
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22621.34

構造登録者

Prabu-Jeyabalan, M.,King, N.M.,Bandaranayake, R.M. (登録日: 2008-09-19, 公開日: 2009-09-01, 最終更新日: 2024-02-21)

• 主引用文献: King, N.M.,Prabu-Jeyabalan, M.,Bandaranayake, R.M.,Nalam, M.N.,Nalivaika, E.A.,Ozen, A.,Yilmaz, N.K.,Schiffer, C.A.; Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.; Acs Chem.Biol., 7:1536-1546, 2012; PubMed: 22712830; DOI: 10.1021/cb300191k

実験手法

X-RAY DIFFRACTION (1.6 Å)