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Ligand · WRO

WRO · 2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

WRO, 2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (C14 H11 F3 N2 O4, 328.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
WRO
Formula
C14 H11 F3 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

WRO in 2 structures; the first of them:

  • 3W1T · Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-095 · WRO A401 · binds LYS43, ARG50, ASN67, SER68, MET69, GLY70, LEU71, PRO72 and 6 more
  • 3W1T · Structure of trypanosoma cruzi dihydroorotate dehydrogenase in complex with mii-3-095 · WRO A401 · binds LYS43, ARG50, ASN67, SER68, MET69, GLY70, LEU71, PRO72 and 6 more

Residues it binds most

SER 4, ASN 4, LEU 4, PRO 4, ARG 4, GLY 4, LYS 4, MET 4, CYS 2 (residue and the binding sites it lines).

Found with

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

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