6JID

Human MTHFD2 in complex with Compound 1

Summary for 6JID

• Entry DOI: 10.2210/pdb6jid/pdb
• Descriptor: Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, PHOSPHATE ION, ... (5 entities in total)
• Functional Keywords: inhibitor, folate, cofactor, dehydrogenase, oxidoreductase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 71742.08

Authors

Suzuki, M.,Matsui, Y.,Matsuhashi, N.,Kawai, J. (deposition date: 2019-02-20, release date: 2019-06-05, Last modification date: 2023-11-22)

• Primary citation: Kawai, J.,Ota, M.,Ohki, H.,Toki, T.,Suzuki, M.,Shimada, T.,Matsui, S.,Inoue, H.,Sugihara, C.,Matsuhashi, N.,Matsui, Y.,Takaishi, S.,Nakayama, K.; Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.; Acs Med.Chem.Lett., 10:893-898, 2019; PubMed: 31223444; DOI: 10.1021/acsmedchemlett.9b00069

Experimental method

X-RAY DIFFRACTION (2.5 Å)