7EBH

Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13

Summary for 7EBH

Entry DOI	10.2210/pdb7ebh/pdb
Related	7EA0 7EAS 7EAT 7EBB 7EBG
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	45211.66
Authors	Orita, T.,Doi, S.,Iwanaga, T.,Adachi, T. (deposition date: 2021-03-09, 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 (1.96 Å)

Structure validation