4YOI

Structure of HKU4 3CLpro bound to non-covalent inhibitor 1A

Summary for 4YOI

Entry DOI	10.2210/pdb4yoi/pdb
Related	4YO9 4YOG 4YOJ
Descriptor	3C-like proteinase, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide, ACETATE ION, ... (5 entities in total)
Functional Keywords	hku4 3clpro mpro nsp5, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Bat coronavirus HKU4 (BtCoV)
Total number of polymer chains	2
Total formula weight	67691.05
Authors	St John, S.E.,Mesecar, A. (deposition date: 2015-03-11, release date: 2015-08-05, Last modification date: 2024-02-28)
Primary citation	St John, S.E.,Tomar, S.,Stauffer, S.R.,Mesecar, A.D. Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23:6036-6048, 2015 Cited by PubMed: 26190463 DOI: 10.1016/j.bmc.2015.06.039 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.82 Å)

Structure validation