5V7I

Crystal structure of homo sapiens serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), in complex with glycine, PLP and folate-competitive pyrazolopyran inhibitor: 6-amino-4-isopropyl-3-methyl-4-(3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Summary for 5V7I

• Entry DOI: 10.2210/pdb5v7i/pdb
• Descriptor: Serine hydroxymethyltransferase, mitochondrial, (4R)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, GLYCEROL, ... (6 entities in total)
• Functional Keywords: shmt2, serine catabolism, antifolate, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 107224.35

Authors

Ducker, G.S.,Ghergurovich, J.M.,Mainolfi, N.,Suri, V.,Jeong, S.,Friedman, A.,Manfredi, M.,Kim, H.,Rabinowitz, J.D. (deposition date: 2017-03-20, release date: 2017-10-11, Last modification date: 2023-11-15)

• Primary citation: Ducker, G.S.,Ghergurovich, J.M.,Mainolfi, N.,Suri, V.,Jeong, S.K.,Hsin-Jung Li, S.,Friedman, A.,Manfredi, M.G.,Gitai, Z.,Kim, H.,Rabinowitz, J.D.; Human SHMT inhibitors reveal defective glycine import as a targetable metabolic vulnerability of diffuse large B-cell lymphoma.; Proc. Natl. Acad. Sci. U.S.A., 114:11404-11409, 2017; PubMed: 29073064; DOI: 10.1073/pnas.1706617114

Experimental method

X-RAY DIFFRACTION (2.47 Å)