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 Cited by PubMed Abstract: Structure-based design was utilized to guide the early stage optimization of a substrate-like inhibitor to afford potent peptidomimetic inhibitors of the channel-activating protease prostasin. The first X-ray crystal structures of prostasin with small molecule inhibitors bound to the active site are also reported. PubMed: 18752942DOI: 10.1016/j.bmcl.2008.08.029 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
Download full validation report