6S4A

Structure of human MTHFD2 in complex with TH9028

Summary for 6S4A

• Entry DOI: 10.2210/pdb6s4a/pdb
• Descriptor: Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, PHOSPHATE ION, ... (6 entities in total)
• Functional Keywords: oxidoreductase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 72270.17

Authors

Gustafsson, R.,Scaletti, E.R.,Bonagas, N.,Gustafsson, N.M.,Henriksson, M.,Abdurakhmanov, E.,Andersson, Y.,Bengtsson, C.,Borhade, S.,Desroses, M.,Farnegardh, K.,Garg, N.,Gokturk, C.,Haraldsson, M.,Iliev, P.,Jarvius, M.,Jemth, A.S.,Kalderen, C.,Karsten, S.,Klingegard, F.,Koolmeister, T.,Martens, U.,Llona-Minguez, S.,Loseva, O.,Marttila, P.,Michel, M.,Moulson, R.,Nordstrom, H.,Paulin, C.,Pham, T.,Pudelko, L.,Rasti, A.,Roos, A.K.,Sarno, A.,Sandberg, L.,Scobie, M.,Sjoberg, B.,Svensson, R.,Unterlass, J.E.,Vallin, K.,Vo, D.,Wiita, E.,Warpman-Berglund, U.,Homan, E.J.,Helleday, T.,Stenmark, P. (deposition date: 2019-06-27, release date: 2021-07-07, Last modification date: 2022-05-11)

• Primary citation: Bonagas, N.,Gustafsson, N.M.S.,Henriksson, M.,Marttila, P.,Gustafsson, R.,Wiita, E.,Borhade, S.,Green, A.C.,Vallin, K.S.A.,Sarno, A.,Svensson, R.,Gokturk, C.,Pham, T.,Jemth, A.S.,Loseva, O.,Cookson, V.,Kiweler, N.,Sandberg, L.,Rasti, A.,Unterlass, J.E.,Haraldsson, M.,Andersson, Y.,Scaletti, E.R.,Bengtsson, C.,Paulin, C.B.J.,Sanjiv, K.,Abdurakhmanov, E.,Pudelko, L.,Kunz, B.,Desroses, M.,Iliev, P.,Farnegardh, K.,Kramer, A.,Garg, N.,Michel, M.,Haggblad, S.,Jarvius, M.,Kalderen, C.,Jensen, A.B.,Almlof, I.,Karsten, S.,Zhang, S.M.,Haggblad, M.,Eriksson, A.,Liu, J.,Glinghammar, B.,Nekhotiaeva, N.,Klingegard, F.,Koolmeister, T.,Martens, U.,Llona-Minguez, S.,Moulson, R.,Nordstrom, H.,Parrow, V.,Dahllund, L.,Sjoberg, B.,Vargas, I.L.,Vo, D.D.,Wannberg, J.,Knapp, S.,Krokan, H.E.,Arvidsson, P.I.,Scobie, M.,Meiser, J.,Stenmark, P.,Berglund, U.W.,Homan, E.J.,Helleday, T.; Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.; Nat Cancer, 3:156-172, 2022; PubMed: 35228749; DOI: 10.1038/s43018-022-00331-y

Experimental method

X-RAY DIFFRACTION (1.95 Å)