1ZJ7

Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2

1ZJ7 の概要

• エントリーDOI: 10.2210/pdb1zj7/pdb
• 関連するPDBエントリー: 1FQX 1IIQ 1LZQ 1M0B 1Z8C 1ZBG 1ZLF
• 関連するBIRD辞書のPRD_ID: PRD_000386
• 分子名称: PROTEASE RETROPEPSIN, N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide (3 entities in total)
• 機能のキーワード: hiv, protease, peptidomimetic inhibitor, 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): P03367
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 11523.58

構造登録者

Skalova, T.,Dohnalek, J.,Duskova, J.,Petrokova, H.,Hasek, J. (登録日: 2005-04-28, 公開日: 2006-05-09, 最終更新日: 2023-08-23)

主引用文献

Skalova, T.,Dohnalek, J.,Duskova, J.,Petrokova, H.,Hradilek, M.,Soucek, M.,Konvalinka, J.,Hasek, J.
HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site
J.Med.Chem., 49:5777-5784, 2006

PubMed Abstract: Two new X-ray structures of an HIV-1 protease mutant (A71V, V82T, I84V) in complex with inhibitors SE and SQ, pseudotetrapeptide inhibitors with an acyclic S-hydroxyethylamine isostere, were determined. Comparison of eight structures exploring the binding of four similar inhibitors--SE, SQ (S-hydroxyethylamine isostere), OE (ethyleneamine), and QF34 (hydroxyethylene)--to wild-type and A71V/V82T/I84V HIV-1 protease elucidates the principles of altered interaction with changing conditions. The A71V mutation, which is distant from the active site, causes changes in the structure of the enzyme detectable by the means of X-ray structure analysis, and a route of propagation of the effect toward the active site is proposed.

PubMed: 16970402
DOI: 10.1021/jm0605583

実験手法

X-RAY DIFFRACTION (1.93 Å)