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

Summary for 6AEJ

DescriptorAlpha-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 Keywordsoxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight54506.65
Wang, Y.,Cao, R.,Peng, S.,Zhang, W.,Huang, N. (deposition date: 2018-08-05, release date: 2019-06-19)
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
PubMed: 30996080 (PDB entries with the same primary citation)
DOI: 10.1126/scitranslmed.aau7116
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2418 2.9% 9.6% 2.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution