7HUE

PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D08 from the F2X-Entry Screen in monoclinic space group

This is a non-PDB format compatible entry.

Summary for 7HUE

• Entry DOI: 10.2210/pdb7hue/pdb
• Group deposition: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragments from the F2X-Entry Screen in monoclinic space group (G_1002326)
• Descriptor: 3C-like proteinase nsp5, N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N,N',N'-trimethylurea, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: sars-cov-2, fragment screen, main protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2,2019-nCoV)
• Total number of polymer chains: 1
• Total formula weight: 34280.23

Authors

Barthel, T.,Benz, L.S.,Wollenhaupt, J.,Weiss, M.S. (deposition date: 2025-01-07, release date: 2025-01-15)

• Primary citation: Barthel, T.,Wollenhaupt, J.,Benz, L.S.,Reincke, P.,Zhang, L.,Lennartz, F.,Tabermann, H.,Mueller, U.,Meente, A.,Hilgenfeld, R.,Weiss, M.S.; Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening; To be published,

Experimental method

X-RAY DIFFRACTION (1.7 Å)