4HVP

Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution

4HVP の概要

• エントリーDOI: 10.2210/pdb4hvp/pdb
• 関連するBIRD辞書のPRD_ID: PRD_000398
• 分子名称: HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide (3 entities in total)
• 機能のキーワード: acid proteinase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus 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: 22300.26

構造登録者

Miller, M.,Schneider, J.,Sathyanarayana, B.K.,Toth, M.V.,Marshall, G.R.,Clawson, L.,Selk, L.,Kent, S.B.H.,Wlodawer, A. (登録日: 1989-08-08, 公開日: 1990-04-15, 最終更新日: 2025-03-26)

主引用文献

Miller, M.,Schneider, J.,Sathyanarayana, B.K.,Toth, M.V.,Marshall, G.R.,Clawson, L.,Selk, L.,Kent, S.B.,Wlodawer, A.
Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution.
Science, 246:1149-1152, 1989

PubMed Abstract: The structure of a complex between a peptide inhibitor with the sequence N-acetyl-Thr-Ile-Nle-psi[CH2-NH]-Nle-Gln-Arg.amide (Nle, norleucine) with chemically synthesized HIV-1 (human immunodeficiency virus 1) protease was determined at 2.3 A resolution (R factor of 0.176). Despite the symmetric nature of the unliganded enzyme, the asymmetric inhibitor lies in a single orientation and makes extensive interactions at the interface between the two subunits of the homodimeric protein. Compared with the unliganded enzyme, the protein molecule underwent substantial changes, particularly in an extended region corresponding to the "flaps" (residues 35 to 57 in each chain), where backbone movements as large as 7 A are observed.

PubMed: 2686029

実験手法

X-RAY DIFFRACTION (2.3 Å)