The crystal structure of COVID-19 main protease in complex with an inhibitor N3

Summary for 6LU7

Related PRD IDPRD_002214
Descriptormain 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 Keywordsprotease, viral protein
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains2
Total molecular weight34506.34
Liu, X.,Zhang, B.,Jin, Z.,Yang, H.,Rao, Z. (deposition date: 2020-01-26, release date: 2020-02-05, Last modification date: 2020-05-27)
Primary citation
Jin, Z.,Du, X.,Xu, Y.,Deng, Y.,Liu, M.,Zhao, Y.,Zhang, B.,Li, X.,Zhang, L.,Peng, C.,Duan, Y.,Yu, J.,Wang, L.,Yang, K.,Liu, F.,Jiang, R.,Yang, X.,You, T.,Liu, X.,Yang, X.,Bai, F.,Liu, H.,Liu, X.,Guddat, L.W.,Xu, W.,Xiao, G.,Qin, C.,Shi, Z.,Jiang, H.,Rao, Z.,Yang, H.
Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 2020
PubMed: 32272481 (PDB entries with the same primary citation)
DOI: 10.1038/s41586-020-2223-y
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23450 0.8% 5.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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