6QBU

Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC188

Summary for 6QBU

Entry DOI	10.2210/pdb6qbu/pdb
Descriptor	Chymotrypsin-like elastase family member 1, ~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide, PHOSPHATE ION, ... (6 entities in total)
Functional Keywords	serine hydrolases, pancreatic porcine elastase, inhibitor, 3-oxo-beta-sultams, sulfonylation, hydrolase
Biological source	Sus scrofa (Pig)
Total number of polymer chains	1
Total formula weight	26616.95
Authors	Brito, J.A.,Almeida, V.T.,Carvalho, L.M.,Moreira, R.,Archer, M. (deposition date: 2018-12-21, release date: 2020-04-08, Last modification date: 2024-01-24)
Primary citation	Carvalho, L.A.R.,Almeida, V.T.,Brito, J.A.,Lum, K.M.,Oliveira, T.F.,Guedes, R.C.,Goncalves, L.M.,Lucas, S.D.,Cravatt, B.F.,Archer, M.,Moreira, R. 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling. Acs Chem.Biol., 15:878-883, 2020 Cited by PubMed: 32176480 DOI: 10.1021/acschembio.0c00090 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.38 Å)

Structure validation