6U26

PCSK9 in complex with compound 16

Summary for 6U26

• Entry DOI: 10.2210/pdb6u26/pdb
• Descriptor: Proprotein convertase subtilisin/kexin type 9, 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid (3 entities in total)
• Functional Keywords: cholesterol clearance, pcsk9, ldlr, autocatalytic cleavage, cholesterol metabolism, disulfide bond, glycoprotein, hydrolase, lipid metabolism, phosphoprotein, protease, secreted, serine protease, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 153240.54

Authors

Orth, P. (deposition date: 2019-08-19, release date: 2019-11-06, Last modification date: 2024-03-06)

• Primary citation: Petrilli, W.L.,Adam, G.C.,Erdmann, R.S.,Abeywickrema, P.,Agnani, V.,Ai, X.,Baysarowich, J.,Byrne, N.,Caldwell, J.P.,Chang, W.,DiNunzio, E.,Feng, Z.,Ford, R.,Ha, S.,Huang, Y.,Hubbard, B.,Johnston, J.M.,Kavana, M.,Lisnock, J.M.,Liang, R.,Lu, J.,Lu, Z.,Meng, J.,Orth, P.,Palyha, O.,Parthasarathy, G.,Salowe, S.P.,Sharma, S.,Shipman, J.,Soisson, S.M.,Strack, A.M.,Youm, H.,Zhao, K.,Zink, D.L.,Zokian, H.,Addona, G.H.,Akinsanya, K.,Tata, J.R.,Xiong, Y.,Imbriglio, J.E.; From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.; Cell Chem Biol, 27:32-40.e3, 2020; PubMed: 31653597; DOI: 10.1016/j.chembiol.2019.10.002

Experimental method

X-RAY DIFFRACTION (1.53 Å)