PCSK9 in complex with compound 2

Summary for 6U3X

DescriptorProprotein convertase subtilisin/kexin type 9, 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (3 entities in total)
Functional Keywordsserine type endopeptidase activity proteolysis, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight152510.74
Lu, J.,Soisson, S. (deposition date: 2019-08-22, release date: 2019-11-06, Last modification date: 2020-01-29)
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 (PDB entries with the same primary citation)
DOI: 10.1016/j.chembiol.2019.10.002
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.27920 0.6% 9.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload