6AEJ

Crystal structure of human FTO in complex with small-molecule inhibitors

Summary for 6AEJ

Entry DOI	10.2210/pdb6aej/pdb
Descriptor	Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, ZINC ION (3 entities in total)
Functional Keywords	oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (Human) More
Total number of polymer chains	1
Total formula weight	54506.65
Authors	Wang, Y.,Cao, R.,Peng, S.,Zhang, W.,Huang, N. (deposition date: 2018-08-05, release date: 2019-06-19, Last modification date: 2023-11-22)
Primary citation	Peng, S.,Xiao, W.,Ju, D.,Sun, B.,Hou, N.,Liu, Q.,Wang, Y.,Zhao, H.,Gao, C.,Zhang, S.,Cao, R.,Li, P.,Huang, H.,Ma, Y.,Wang, Y.,Lai, W.,Ma, Z.,Zhang, W.,Huang, S.,Wang, H.,Zhang, Z.,Zhao, L.,Cai, T.,Zhao, Y.L.,Wang, F.,Nie, Y.,Zhi, G.,Yang, Y.G.,Zhang, E.E.,Huang, N. Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11:-, 2019 Cited by PubMed: 30996080 DOI: 10.1126/scitranslmed.aau7116 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.8 Å)

Structure validation