Crystal structure of the free enzyme of the SARS-CoV-2 (2019-nCoV) main protease

Summary for 6Y2E

DescriptorReplicase polyprotein 1ab (2 entities in total)
Functional Keywordsnovel coronavirus, alpha-ketoamide, antiviral, drug design, viral protein
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains1
Total molecular weight33825.55
Zhang, L.,Sun, X.,Hilgenfeld, R. (deposition date: 2020-02-15, release date: 2020-03-04, Last modification date: 2020-05-06)
Primary citation
Zhang, L.,Lin, D.,Sun, X.,Curth, U.,Drosten, C.,Sauerhering, L.,Becker, S.,Rox, K.,Hilgenfeld, R.
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368:409-412, 2020
PubMed: 32198291 (PDB entries with the same primary citation)
DOI: 10.1126/science.abb3405
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2282 0.3% 2.3% 2.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-12-02