5J71

Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35

Summary for 5J71

Entry DOI	10.2210/pdb5j71/pdb
Related	4MP2 4MP7 4MPC 4MPE 4MPN 5J6A
Descriptor	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, L(+)-TARTARIC ACID, 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol, ... (4 entities in total)
Functional Keywords	ghkl protein kinase, pyruvate dehydrogenase complex, mitochondrial protein kinases, impaired glucose oxidation, hepatic steatosis, type 2 diabetes, cancer, bergerat nucleotide-binding fold, protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	45772.96
Authors	Gui, W.J.,Tso, S.C.,Chuang, J.L.,Wu, C.Y.,Qi, X.,Wynn, R.M.,Chuang, D.T. (deposition date: 2016-04-05, release date: 2017-01-25, Last modification date: 2023-09-27)
Primary citation	Tso, S.C.,Lou, M.,Wu, C.Y.,Gui, W.J.,Chuang, J.L.,Morlock, L.K.,Williams, N.S.,Wynn, R.M.,Qi, X.,Chuang, D.T. Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60:1142-1150, 2017 Cited by PubMed: 28085286 DOI: 10.1021/acs.jmedchem.6b01540 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.65 Å)

Structure validation