5XMS

Plasmodium vivax SHMT bound with PLP-glycine and GS498

Summary for 5XMS

Entry DOI	10.2210/pdb5xms/pdb
Descriptor	Serine hydroxymethyltransferase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, ... (5 entities in total)
Functional Keywords	alpha and beta protein, methyltransferase activity, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Plasmodium vivax
Total number of polymer chains	3
Total formula weight	150106.32
Authors	Chitnumsub, P.,Jaruwat, A.,Leartsakulpanich, U.,Schwertz, G.,Diederich, F. (deposition date: 2017-05-16, release date: 2017-11-29, Last modification date: 2023-11-22)
Primary citation	Schwertz, G.,Frei, M.S.,Witschel, M.C.,Rottmann, M.,Leartsakulpanich, U.,Chitnumsub, P.,Jaruwat, A.,Ittarat, W.,Schafer, A.,Aponte, R.A.,Trapp, N.,Mark, K.,Chaiyen, P.,Diederich, F. Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23:14345-14357, 2017 Cited by PubMed: 28967982 DOI: 10.1002/chem.201703244 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.45 Å)

Structure validation