1EP4

Crystal structure of HIV-1 reverse transcriptase in complex with S-1153

1EP4 の概要

• エントリーDOI: 10.2210/pdb1ep4/pdb
• 関連するPDBエントリー: 1C0T 1C0U 1C1B 1C1C 1DTQ 1DTT 1KLM 1REV 1RT1 1RT2 1RT3 1RT4 1RT5 1RT6 1RT7 1RTH 1RTI 1RTJ 1VRT 1VRU
• 分子名称: HIV-1 REVERSE TRANSCRIPTASE, 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE, ... (4 entities in total)
• 機能のキーワード: hiv-1 reverse transcriptase, aids, non-nucleoside inhibitor, s-1153, drug design, transferase
• 由来する生物種: Human immunodeficiency virus 1; 詳細
• 細胞内の位置: Matrix protein p17: Virion . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P04585 P04585
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 116445.37

構造登録者

Ren, J.,Nichols, C.,Bird, L.E.,Fujiwara, T.,Suginoto, H.,Stuart, D.I.,Stammers, D.K. (登録日: 2000-03-27, 公開日: 2000-09-27, 最終更新日: 2024-11-20)

主引用文献

Ren, J.,Nichols, C.,Bird, L.E.,Fujiwara, T.,Sugimoto, H.,Stuart, D.I.,Stammers, D.K.
Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding.
J.Biol.Chem., 275:14316-14320, 2000

PubMed Abstract: S-1153 (AG1549) is perhaps the most promising non-nucleoside inhibitor of HIV-1 reverse transcriptase currently under development as a potential anti-AIDS drug, because it has a favorable profile of resilience to many drug resistance mutations. We have determined the crystal structure of S-1153 in a complex with HIV-1 reverse transcriptase. The complex possesses some novel features, including an extensive network of hydrogen bonds involving the main chain of residues 101, 103, and 236 of the p66 reverse transcriptase subunit. Such interactions are unlikely to be disrupted by side chain mutations. The reverse transcriptase/S-1153 complex suggests different ways in which resilience to mutations in the non-nucleoside inhibitors of reverse transcriptase binding site can be achieved.

PubMed: 10799511
DOI: 10.1074/jbc.275.19.14316

実験手法

X-RAY DIFFRACTION (2.5 Å)