7TZJ

SARS CoV-2 PLpro in complex with inhibitor 3k

Summary for 7TZJ

• Entry DOI: 10.2210/pdb7tzj/pdb
• Descriptor: Papain-like protease, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, ZINC ION, ... (5 entities in total)
• Functional Keywords: sars cov-2, papain-like protease, 3k, covid19, inhibitor, complex, hydrolase/inhibitor, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 73381.32

Authors

Calleja, D.J.,Klemm, T.,Lechtenberg, B.C.,Kuchel, N.W.,Lessene, G.,Komander, D. (deposition date: 2022-02-15, release date: 2022-03-02, Last modification date: 2023-10-18)

• Primary citation: Calleja, D.J.,Kuchel, N.,Lu, B.G.C.,Birkinshaw, R.W.,Klemm, T.,Doerflinger, M.,Cooney, J.P.,Mackiewicz, L.,Au, A.E.,Yap, Y.Q.,Blackmore, T.R.,Katneni, K.,Crighton, E.,Newman, J.,Jarman, K.E.,Call, M.J.,Lechtenberg, B.C.,Czabotar, P.E.,Pellegrini, M.,Charman, S.A.,Lowes, K.N.,Mitchell, J.P.,Nachbur, U.,Lessene, G.,Komander, D.; Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.; Front Chem, 10:861209-861209, 2022; PubMed: 35494659; DOI: 10.3389/fchem.2022.861209

Experimental method

X-RAY DIFFRACTION (2.66 Å)