6SMA

Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249

Summary for 6SMA

• Entry DOI: 10.2210/pdb6sma/pdb
• Related: 6QBU 6QEN 6QEO
• Descriptor: Neutrophil elastase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
• Functional Keywords: serine hydrolases, human neutrophil elastase, inhibitor, 3-oxo-beta-sultams, sulfonylation, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 3
• Total formula weight: 74145.99

Authors

Brito, J.A.,Almeida, V.T.,Carvalho, L.M.,Moreira, R.,Archer, M. (deposition date: 2019-08-21, 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; PubMed: 32176480; DOI: 10.1021/acschembio.0c00090

Experimental method

X-RAY DIFFRACTION (2.59 Å)