7EA0

Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1

Summary for 7EA0

Entry DOI	10.2210/pdb7ea0/pdb
Related	7EAS 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-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	45090.68
Authors	Orita, T.,Doi, S.,Iwanaga, T.,Adachi, T. (deposition date: 2021-03-05, 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 (2.34 Å)

Structure validation