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3OUB

MDR769 HIV-1 protease complexed with NC/p1 hepta-peptide

3OUB の概要
エントリーDOI10.2210/pdb3oub/pdb
関連するPDBエントリー3OTS 3OTY 3OU1 3OU3 3OU4 3OUA 3OUC 3OUD
分子名称MDR HIV-1 protease, NC/p1 substrate peptide (3 entities in total)
機能のキーワードmdr hiv-1 protease, inhibitor, drug resistance, substrate envelope, hiv-1 protease, protease, nc/p1 substrate peptide, none, hydrolase, hydrolase-peptide complex, hydrolase/peptide
由来する生物種Human immunodeficiency virus 1
詳細
タンパク質・核酸の鎖数3
化学式量合計22345.21
構造登録者
Liu, Z.,Wang, Y.,Brunzelle, J.,Kovari, I.A.,Kovari, L.C. (登録日: 2010-09-14, 公開日: 2011-03-30, 最終更新日: 2024-02-21)
主引用文献Liu, Z.,Wang, Y.,Brunzelle, J.,Kovari, I.A.,Kovari, L.C.
Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30:173-183, 2011
Cited by
PubMed Abstract: Under drug selection pressure, emerging mutations render HIV-1 protease drug resistant, leading to the therapy failure in anti-HIV treatment. It is known that nine substrate cleavage site peptides bind to wild type (WT) HIV-1 protease in a conserved pattern. However, how the multidrug-resistant (MDR) HIV-1 protease binds to the substrate cleavage site peptides is yet to be determined. MDR769 HIV-1 protease (resistant mutations at residues 10, 36, 46, 54, 62, 63, 71, 82, 84, and 90) was selected for present study to understand the binding to its natural substrates. MDR769 HIV-1 protease was co-crystallized with nine substrate cleavage site hepta-peptides. Crystallographic studies show that MDR769 HIV-1 protease has an expanded substrate envelope with wide open flaps. Furthermore, ligand binding energy calculations indicate weaker binding in MDR769 HIV-1 protease-substrate complexes. These results help in designing the next generation of HIV-1 protease inhibitors by targeting the MDR HIV-1 protease.
PubMed: 21394574
DOI: 10.1007/s10930-011-9316-2
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (1.6 Å)
構造検証レポート
Validation report summary of 3oub
検証レポート(詳細版)ダウンロードをダウンロード

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件を2024-11-20に公開中

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