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Ligand · W7A

W7A · 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid

W7A, 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid (C19 H16 N2 O4, 336.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
W7A
Formula
C19 H16 N2 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

W7A in 4 structures; the first of them:

  • 3W71 · Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-097 · W7A A401 · binds LYS43, ASN53, ASN67, SER68, MET69, GLY70, LEU71, PRO72 and 8 more
  • 3W7R · Structure of Human dihydroorotate dehydrogenase in complex with mii-4-097 · W7A A408 · binds TYR38, MET43, LEU46, GLN47, PRO52, ALA55, HIS56, ALA59 and 13 more
  • 3W71 · Structure of trypanosoma cruzi dihydroorotate dehydrogenase in complex with mii-4-097 · W7A A401 · binds LYS43, ASN53, ASN67, SER68, MET69, GLY70, LEU71, PRO72 and 8 more
  • 3W7R · Structure of human dihydroorotate dehydrogenase in complex with mii-4- 097 · W7A A408 · binds TYR38, MET43, LEU46, GLN47, PRO52, ALA55, HIS56, ALA59 and 13 more

Residues it binds most

ASN 4, SER 4, LEU 6, PRO 6, LYS 4, MET 6, ALA 2, ARG 4, GLY 4, PHE 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • GOL · Glycerol
  • DDQ · Decylamine-N,N-dimethyl-N-oxide
  • NCO · Cobalt hexammine(iii)
  • ORO · Orotic acid
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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