7ROT

Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr

Summary for 7ROT

• Entry DOI: 10.2210/pdb7rot/pdb
• Descriptor: Tyrosine--tRNA ligase, {(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name), MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: enzyme, tyrosyl-trna synthetase, malaria, inhibitor, ligase, tyrosine-amp
• Biological source: Plasmodium falciparum (isolate 3D7)
• Total number of polymer chains: 2
• Total formula weight: 88147.36

Authors

Metcalfe, R.D.,Xie, S.C.,Morton, C.J.,Tilley, L.,Griffin, M.D.W. (deposition date: 2021-08-02, release date: 2022-06-08, Last modification date: 2023-10-18)

• Primary citation: Xie, S.C.,Metcalfe, R.D.,Dunn, E.,Morton, C.J.,Huang, S.C.,Puhalovich, T.,Du, Y.,Wittlin, S.,Nie, S.,Luth, M.R.,Ma, L.,Kim, M.S.,Pasaje, C.F.A.,Kumpornsin, K.,Giannangelo, C.,Houghton, F.J.,Churchyard, A.,Famodimu, M.T.,Barry, D.C.,Gillett, D.L.,Dey, S.,Kosasih, C.C.,Newman, W.,Niles, J.C.,Lee, M.C.S.,Baum, J.,Ottilie, S.,Winzeler, E.A.,Creek, D.J.,Williamson, N.,Parker, M.W.,Brand, S.,Langston, S.P.,Dick, L.R.,Griffin, M.D.W.,Gould, A.E.,Tilley, L.; Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.; Science, 376:1074-1079, 2022; PubMed: 35653481; DOI: 10.1126/science.abn0611

Experimental method

X-RAY DIFFRACTION (2.2 Å)