3E16

X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3

Summary for 3E16

• Entry DOI: 10.2210/pdb3e16/pdb
• Related: 3E1X 3EON 3EOP
• Descriptor: Prostasin, GLYCEROL, benzyl [(1S)-5-amino-1-{[(1S)-1-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate, ... (5 entities in total)
• Functional Keywords: prostasin, hcap-1, channel activating protease, inhibitor, enac, benzoxazole, cell membrane, glycoprotein, hydrolase, membrane, protease, secreted, serine protease, transmembrane, zymogen
• Biological source: Homo sapiens (human)
• Cellular location: Prostasin: Cell membrane; Single-pass membrane protein. Prostasin light chain: Secreted, extracellular space. Prostasin heavy chain: Secreted, extracellular space: Q16651
• Total number of polymer chains: 1
• Total formula weight: 30451.04

Authors

Spraggon, G.,Hornsby, M.,Shipway, A.,Harris, J.L.,Lesley, S.A. (deposition date: 2008-08-01, release date: 2008-09-09, Last modification date: 2021-10-20)

• Primary citation: Tully, D.C.,Vidal, A.,Chatterjee, A.K.,Williams, J.A.,Roberts, M.J.,Petrassi, H.M.,Spraggon, G.,Bursulaya, B.,Pacoma, R.,Shipway, A.,Schumacher, A.M.,Danahay, H.,Harris, J.L.; Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.; Bioorg.Med.Chem.Lett., 18:5895-5899, 2008; PubMed: 18752942; DOI: 10.1016/j.bmcl.2008.08.029

Experimental method

X-RAY DIFFRACTION (1.6 Å)