1AJV

HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006

1AJV の概要

• エントリーDOI: 10.2210/pdb1ajv/pdb
• 分子名称: HIV-1 PROTEASE, 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL (3 entities in total)
• 機能のキーワード: protease, aspartyl protease, non-peptide inhibitor, drug design, hiv-1
• 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): P03366
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22182.20

構造登録者

Backbro, K.,Unge, T. (登録日: 1997-05-11, 公開日: 1997-08-20, 最終更新日: 2024-05-22)

主引用文献

Backbro, K.,Lowgren, S.,Osterlund, K.,Atepo, J.,Unge, T.,Hulten, J.,Bonham, N.M.,Schaal, W.,Karlen, A.,Hallberg, A.
Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor.
J.Med.Chem., 40:898-902, 1997

PubMed Abstract: Two cyclic, C2-symmetric HIV-1 protease inhibitors, one sulfamide and one urea derivative, both comprising phenyl ether groups in the P1/P1' positions, were cocrystallized with HIV-1 protease, and the crystal structures were determined to 2.0 A resolution. The structure of the urea 2 showed a conformation similar to that reported for the related urea 3 by Lam et al., while the sulfamide 1 adopted an unanticipated conformation in which the P1' and P2' side chains were transposed.

PubMed: 9083478
DOI: 10.1021/jm960588d

実験手法

X-RAY DIFFRACTION (2 Å)