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Ligand · W7Q

W7Q · 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7Q, 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (C20 H23 N3 O6, 401.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
W7Q
Formula
C20 H23 N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

W7Q in 2 structures; the first of them:

  • 3W7Q · Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-5-127 · W7Q A401 · binds LYS43, ARG50, ASN53, ASN67, SER68, MET69, GLY70, LEU71 and 10 more
  • 3W7Q · Structure of trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-5-127 · W7Q A401 · binds LYS43, ARG50, ASN53, ASN67, SER68, MET69, GLY70, LEU71 and 10 more

Residues it binds most

ASN 4, SER 4, LEU 4, LYS 4, PRO 4, ARG 4, CYS 4, GLY 4, MET 4 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • NCO · Cobalt hexammine(iii)
  • GOL · Glycerol

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