3E0P

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

Summary for 3E0P
Related3E0N 3E16 3E1X
DescriptorProstasin, 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 Keywordsprostasin, protease, benzoxazole, warhead, channel, enac, cell membrane, glycoprotein, hydrolase, membrane, secreted, serine protease, transmembrane, zymogen
Biological sourceHomo sapiens (human)
Cellular locationProstasin: Cell membrane; Single-pass membrane protein. Prostasin light chain: Secreted, extracellular space. Prostasin heavy chain: Secreted, extracellular space: Q16651
Total number of polymer chains1
Total formula weight30462.00
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: 2011-07-13)
Primary citationBursulaya, B.,Chatterjee, A.K.,Danahay, H.,Harris, J.L.,Pacoma, R.,Petrassi, H.M.,Roberts, M.J.,Schumacher, A.M.,Shipway, A.,Spraggon, G.,Tully, D.C.,Vidal, A.,Williams, J.A.
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: 110.1016/j.bmcl.2008.08.029
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.7 Å)
Structure validation
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB Foundation
wwPDBRCSB PDBPDBeBMRBAdv. SearchSearch help

178938

PDB entries from 2021-06-16