6BIC

2.25 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor

6BIC の概要

• エントリーDOI: 10.2210/pdb6bic/pdb
• 関連するBIRD辞書のPRD_ID: PRD_002202
• 分子名称: 3C-like protease, (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate (3 entities in total)
• 機能のキーワード: protease, norovirus, norwalk virus, antiviral inhibitors, triazole-based macrocyclic inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Norwalk virus (Hu/NV/NV/1968/US)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 41367.55

構造登録者

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Kankanamalage, A.C.G.,Weerawarna, P.M.,Rathnayake, A.D.,Kim, Y.,Chang, K.O.,Groutas, W.C. (登録日: 2017-11-01, 公開日: 2018-11-07, 最終更新日: 2023-10-04)

• 主引用文献: Galasiti Kankanamalage, A.C.,Weerawarna, P.M.,Rathnayake, A.D.,Kim, Y.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.; Proteins, 87:579-587, 2019; PubMed: 30883881; DOI: 10.1002/prot.25682

実験手法

X-RAY DIFFRACTION (2.25 Å)