2BPY

HIV-1 protease-inhibitor complex

2BPY の概要

• エントリーDOI: 10.2210/pdb2bpy/pdb
• 分子名称: HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE (3 entities in total)
• 機能のキーワード: acid protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus 1
• 細胞内の位置: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P04587
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22334.85

構造登録者

Munshi, S.,Chen, Z. (登録日: 1998-01-22, 公開日: 1999-02-23, 最終更新日: 2024-02-14)

主引用文献

Munshi, S.,Chen, Z.,Li, Y.,Olsen, D.B.,Fraley, M.E.,Hungate, R.W.,Kuo, L.C.
Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54:1053-1060, 1998

PubMed Abstract: The ability to replace an inhibitor bound to the HIV-1 protease in single crystals with other potent inhibitors offers the possibility of investigating a series of protease inhibitors rapidly and conveniently with the use of X-ray crystallography. This approach affords a fast turnaround of structural information for iterative rational drug designs and obviates the need for studying the complex structures by co-crystallization. The replacement approach has been successfully used with single crystals of the HIV-1 protease complexed with a weak inhibitor. The structures of the complexes obtained by the replacement method are similar to those determined by co-crystallization.

PubMed: 9757136
DOI: 10.1107/S0907444998003588

実験手法

X-RAY DIFFRACTION (1.9 Å)