BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 50262

Title: Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication   PubMed: 32855413

Deposition date: 2020-05-06 Original release date: 2020-06-08

Authors: Vuong, Wayne; McKay, Ryan; Vederas, John

Citation: Vuong, Wayne; Khan, M. Bashir; Fischer, Conrad; Arutyunova, Elena; Lamer, Tess; Shields, Justin; Saffran, Holly; McKay, Ryan; van Belkum, Marco; Joyce, Michael; Young, Howard; Tyrrell, D. Lorne; Vederas, John; Lemieux, M. Joanne. "Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication"  Nat. Commun. 11, 4282-4282 (2020).

Assembly members:
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, non-polymer, 405.488 Da.
SARS-CoV-2 main protease, polymer, 306 residues, Formula weight is not available

Natural source:   Common Name: 2   Taxonomy ID: not available   Superkingdom: not available   Kingdom: 2697049   Genus/species: organism not available

Experimental source:   Production method: chemical synthesis' . . . . . . . . . . . . . . . 'Protease inhibitor synthesized by chemical means.   Host organism: 50262

Entity Sequences (FASTA):
SARS-CoV-2 main protease: SGFRKMAFPSGKVEGCMVQV TCGTTTLNGLWLDDVVYCPR HVICTSEDMLNPNYEDLLIR KSNHNFLVQAGNVQLRVIGH SMQNCVLKLKVDTANPKTPK YKFVRIQPGQTFSVLACYNG SPSGVYQCAMRPNFTIKGSF LNGSCGSVGFNIDYDCVSFC YMHHMELPTGVHAGTDLEGN FYGPFVDRQTAQAAGTDTTI TVNVLAWLYAAVINGDRWFL NRFTTTLNDFNLVAMKYNYE PLTQDHVDILGPLSAQTGIA VLDMCASLKELLQNGMNGRT ILGSALLEDEFTPFDVVRQC SGVTFQ

Data sets:
Data typeCount
13C chemical shifts3
1H chemical shifts3

Time Domain Data

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