8SZN

Crystal structure of Neisseria meningitidis ClpP protease in complex with phosphine oxide compound ACP6-12

Summary for 8SZN

Entry DOI	10.2210/pdb8szn/pdb
Descriptor	ATP-dependent Clp protease proteolytic subunit, 2-{bis[5-(trifluoromethyl)pyridin-2-yl]phosphoryl}-2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)propanamide (3 entities in total)
Functional Keywords	clpp, protease, antibiotic, proteostasis, activator, hydrolase
Biological source	Neisseria meningitidis
Total number of polymer chains	21
Total formula weight	484253.57
Authors	Mabanglo, M.F.,Houry, W.A. (deposition date: 2023-05-30, release date: 2024-09-18, Last modification date: 2024-09-25)
Primary citation	Lin, F.,Mabanglo, M.F.,Zhou, J.L.,Binepal, G.,Barghash, M.M.,Wong, K.S.,Gray-Owen, S.D.,Batey, R.A.,Houry, W.A. Structure-Based Design and Development of Phosphine Oxides as a Novel Chemotype for Antibiotics that Dysregulate Bacterial ClpP Proteases. J.Med.Chem., 67:15131-15147, 2024 Cited by PubMed: 39221504 DOI: 10.1021/acs.jmedchem.4c00773 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.33 Å)

Structure validation