Crystal structure of infectious bronchitis virus (IBV) main protease in complex with a Michael acceptor inhibitor N3

Summary for 2Q6F

Related2Q6D 2Q6G
Related PRD IDPRD_002214
DescriptorInfectious bronchitis virus (IBV) main protease, 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)
Functional Keywordscoronavirus; ibv; main protease; 3c-like proteinase; michael acceptor inhibitor, hydrolase
Biological sourceInfectious bronchitis virus
Total number of polymer chains4
Total molecular weight68633.48
Xue, X.Y.,Yang, H.T.,Xue, F.,Bartlam, M.,Rao, Z.H. (deposition date: 2007-06-05, release date: 2008-02-12, Last modification date: 2015-12-02)
Primary citation
Xue, X.,Yu, H.,Yang, H.,Xue, F.,Wu, Z.,Shen, W.,Li, J.,Zhou, Z.,Ding, Y.,Zhao, Q.,Zhang, X.C.,Liao, M.,Bartlam, M.,Rao, Z.
Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82:2515-2527, 2008
PubMed: 18094151 (PDB entries with the same primary citation)
DOI: 10.1128/JVI.02114-07
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.235130.2%5.2%1.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution