7EHV

Human MTHFD2 in complex with compound 21 and 3

Summary for 7EHV

• Entry DOI: 10.2210/pdb7ehv/pdb
• Related: 7EHJ 7EHM 7EHN
• Descriptor: Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, 1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, ... (4 entities in total)
• Functional Keywords: mthfd2, methylenetetrahydrofolate dehydrogenase 2, 1c metabolism, mitocondria, oxidoreductase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 70108.50

Authors

Lee, L.C.,Peng, Y.H.,Wu, S.Y. (deposition date: 2021-03-30, release date: 2021-08-11, Last modification date: 2023-11-29)

• Primary citation: Lee, L.C.,Peng, Y.H.,Chang, H.H.,Hsu, T.,Lu, C.T.,Huang, C.H.,Hsueh, C.C.,Kung, F.C.,Kuo, C.C.,Jiaang, W.T.,Wu, S.Y.; Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).; J.Med.Chem., 64:11288-11301, 2021; PubMed: 34337952; DOI: 10.1021/acs.jmedchem.1c00663

Experimental method

X-RAY DIFFRACTION (2.61 Å)