7I1D

PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment F04 from the F2X-Entry Screen in orthorhombic space group

Summary for 7I1D

• Entry DOI: 10.2210/pdb7i1d/pdb
• Group deposition: PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragments from the F2X-Entry Screen in orthorhombic space group (G_1002335)
• Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine, ... (6 entities in total)
• Functional Keywords: sars-cov-2, fragment screen, main protease, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68093.89

Authors

Barthel, T.,Benz, L.S.,Wollenhaupt, J.,Weiss, M.S. (deposition date: 2025-02-03, release date: 2025-05-21)

• 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 (2 Å)