8BGA

Structure of Mpro in complex with FGA146

Summary for 8BGA

Entry DOI	10.2210/pdb8bga/pdb
Descriptor	3C-like proteinase nsp5, 4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide (3 entities in total)
Functional Keywords	mpro, sars-cov-2, fga146, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	2
Total formula weight	68626.19
Authors	Medrano, F.J.,Romero, A. (deposition date: 2022-10-27, release date: 2023-11-08, Last modification date: 2024-03-27)
Primary citation	Medrano, F.J.,de la Hoz-Rodriguez, S.,Marti, S.,Arafet, K.,Schirmeister, T.,Hammerschmidt, S.J.,Muller, C.,Gonzalez-Martinez, A.,Santillana, E.,Ziebuhr, J.,Romero, A.,Zimmer, C.,Weldert, A.,Zimmermann, R.,Lodola, A.,Swiderek, K.,Moliner, V.,Gonzalez, F.V. Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2. Commun Chem, 7:15-15, 2024 Cited by PubMed: 38238420 DOI: 10.1038/s42004-024-01104-7 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.982 Å)

Structure validation