5GVK

Plasmodium vivax SHMT bound with PLP-glycine and GS256

Summary for 5GVK

• Entry DOI: 10.2210/pdb5gvk/pdb
• Related: 5GVL 5GVM 5GVN 5GVP
• Descriptor: Serine hydroxymethyltransferase, putative, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, ... (5 entities in total)
• Functional Keywords: alpha and beta protein, methyltransferase activity, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Plasmodium vivax (strain Salvador I)
• Total number of polymer chains: 3
• Total formula weight: 150262.86

Authors

Chitnumsub, P.,Jaruwat, A.,Leartsakulpanich, U.,Schwertz, G. (deposition date: 2016-09-06, release date: 2017-07-12, Last modification date: 2023-11-08)

• Primary citation: Schwertz, G.,Witschel, M.C.,Rottmann, M.,Bonnert, R.,Leartsakulpanich, U.,Chitnumsub, P.,Jaruwat, A.,Ittarat, W.,Schafer, A.,Aponte, R.A.,Charman, S.A.,White, K.L.,Kundu, A.,Sadhukhan, S.,Lloyd, M.,Freiberg, G.M.,Srikumaran, M.,Siggel, M.,Zwyssig, A.,Chaiyen, P.,Diederich, F.; Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures; J. Med. Chem., 60:4840-4860, 2017; PubMed: 28537728; DOI: 10.1021/acs.jmedchem.7b00008

Experimental method

X-RAY DIFFRACTION (2.24 Å)