1QS4

Core domain of HIV-1 integrase complexed with Mg++ and 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone

1QS4 の概要

• エントリーDOI: 10.2210/pdb1qs4/pdb
• 分子名称: PROTEIN (HIV-1 INTEGRASE (E.C.2.7.7.49)), MAGNESIUM ION, 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE, ... (4 entities in total)
• 機能のキーワード: dna integration, integrase, hiv, aspartyl protease, endonuclease, transferase
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 50802.25

構造登録者

Goldgur, Y.,Craigie, R.,Fujiwara, T.,Yoshinaga, T.,Davies, D.R. (登録日: 1999-06-25, 公開日: 1999-11-17, 最終更新日: 2024-02-14)

主引用文献

Goldgur, Y.,Craigie, R.,Cohen, G.H.,Fujiwara, T.,Yoshinaga, T.,Fujishita, T.,Sugimoto, H.,Endo, T.,Murai, H.,Davies, D.R.
Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design.
Proc.Natl.Acad.Sci.USA, 96:13040-13043, 1999

PubMed Abstract: HIV integrase, the enzyme that inserts the viral DNA into the host chromosome, has no mammalian counterpart, making it an attractive target for antiviral drug design. As one of the three enzymes produced by HIV, it can be expected that inhibitors of this enzyme will complement the therapeutic use of HIV protease and reverse transcriptase inhibitors. We have determined the structure of a complex of the HIV-1 integrase core domain with a novel inhibitor, 5ClTEP, 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-pro penone, to 2.1-A resolution. The inhibitor binds centrally in the active site of the integrase and makes a number of close contacts with the protein. Only minor changes in the protein accompany inhibitor binding. This inhibitor complex will provide a platform for structure-based design of an additional class of inhibitors for antiviral therapy.

PubMed: 10557269
DOI: 10.1073/pnas.96.23.13040

実験手法

X-RAY DIFFRACTION (2.1 Å)