3E0P

The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor

Summary for 3E0P

Entry DOI	10.2210/pdb3e0p/pdb
Related	3E0N 3E16 3E1X
Descriptor	Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate, GLYCEROL, ... (4 entities in total)
Functional Keywords	prostasin, protease, benzoxazole, warhead, channel, enac, cell membrane, glycoprotein, hydrolase, membrane, 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	30462.00
Authors	Spraggon, G.,Hornsby, M.,Shipway, A.,Harris, J.L.,Lesley, S.A. (deposition date: 2008-07-31, 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 Cited by PubMed: 18752942 DOI: 10.1016/j.bmcl.2008.08.029 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation