3D23

Main protease of HCoV-HKU1

3D23 の概要

• エントリーDOI: 10.2210/pdb3d23/pdb
• 関連するBIRD辞書のPRD_ID: PRD_002214
• 分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE (3 entities in total)
• 機能のキーワード: main protease, atp-binding, endonuclease, exonuclease, helicase, membrane, metal-binding, nuclease, nucleotide-binding, nucleotidyltransferase, protease, rna replication, rna-binding, rna-directed rna polymerase, thiol protease, transferase, transmembrane, zinc-finger, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human coronavirus (HCoV-HKU1); 詳細
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 134761.93

構造登録者

Zhao, Q.,Chen, C.,Li, S.,Zou, Y. (登録日: 2008-05-07, 公開日: 2008-09-16, 最終更新日: 2024-10-30)

主引用文献

Zhao, Q.,Li, S.,Xue, F.,Zou, Y.,Chen, C.,Bartlam, M.,Rao, Z.
Structure of the main protease from a global infectious human coronavirus, HCoV-HKU1.
J.Virol., 82:8647-8655, 2008

PubMed Abstract: The newly emergent human coronavirus HKU1 (HCoV-HKU1) was first identified in Hong Kong in 2005. Infection by HCoV-HKU1 occurs worldwide and causes syndromes such as the common cold, bronchitis, and pneumonia. The CoV main protease (M(pro)), which is a key enzyme in viral replication via the proteolytic processing of the replicase polyproteins, has been recognized as an attractive target for rational drug design. In this study, we report the structure of HCoV-HKU1 M(pro) in complex with a Michael acceptor, inhibitor N3. The structure of HCoV-HKU1 provides a high-quality model for group 2A CoVs, which are distinct from group 2B CoVs such as severe acute respiratory syndrome CoV. The structure, together with activity assays, supports the relative conservation at the P1 position that was discovered by sequencing the HCoV-HKU1 genome. Combined with structural data from other CoV M(pro)s, the HCoV-HKU1 M(pro) structure reported here provides insights into both substrate preference and the design of antivirals targeting CoVs.

PubMed: 18562531
DOI: 10.1128/JVI.00298-08

実験手法

X-RAY DIFFRACTION (2.5 Å)