7EAS

Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2

Summary for 7EAS

Entry DOI	10.2210/pdb7eas/pdb
Related	7EA0 7EAT 7EBB 7EBG 7EBH
Descriptor	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, CHLORIDE ION, ACETATE ION, ... (6 entities in total)
Functional Keywords	pdhk, kinase inhibitors, fragment screening, pdk1, pdk2, pdk3, pdk4, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	45100.68
Authors	Orita, T.,Doi, S.,Iwanaga, T.,Adachi, T. (deposition date: 2021-03-08, release date: 2021-08-04, Last modification date: 2023-11-29)
Primary citation	Akaki, T.,Bessho, Y.,Ito, T.,Fujioka, S.,Ubukata, M.,Mori, G.,Yamanaka, K.,Orita, T.,Doi, S.,Iwanaga, T.,Ikegashira, K.,Hantani, Y.,Nakanishi, I.,Adachi, T. Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44:116283-116283, 2021 Cited by PubMed: 34274549 DOI: 10.1016/j.bmc.2021.116283 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.97 Å)

Structure validation