8A1R

cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor

Summary for 8A1R

• Entry DOI: 10.2210/pdb8a1r/pdb
• EMDB information: 15084
• Descriptor: Thioredoxin glutathione reductase, FLAVIN-ADENINE DINUCLEOTIDE, (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol (3 entities in total)
• Functional Keywords: inhibitor, complex, flavoreductase, flavoprotein
• Biological source: Schistosoma mansoni
• Total number of polymer chains: 2
• Total formula weight: 132522.47

Authors

Ardini, M.,Angelucci, F.,Fata, F.,Gabriele, F.,Effantin, G.,Ling, W.,Williams, D.L.,Petukhova, V.Z.,Petukhov, P.A. (deposition date: 2022-06-01, release date: 2023-06-14, Last modification date: 2023-07-05)

• Primary citation: Petukhova, V.Z.,Aboagye, S.Y.,Ardini, M.,Lullo, R.P.,Fata, F.,Byrne, M.E.,Gabriele, F.,Martin, L.M.,Harding, L.N.M.,Gone, V.,Dangi, B.,Lantvit, D.D.,Nikolic, D.,Ippoliti, R.,Effantin, G.,Ling, W.L.,Johnson, J.J.,Thatcher, G.R.J.,Angelucci, F.,Williams, D.L.,Petukhov, P.A.; Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo.; Nat Commun, 14:3737-3737, 2023; PubMed: 37349300; DOI: 10.1038/s41467-023-39444-y

Experimental method

ELECTRON MICROSCOPY (3.6 Å)