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Ligand · 4D3

4D3 · methyl (2Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate

4D3, methyl (2Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate (C11 H8 F N O2, 205.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
4D3
Formula
C11 H8 F N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4D3 in 2 structures; the first of them:

  • 4YIL · OYE1 W116A complexed with (Z)-methyl 3-cyano-3-(4-FLUOROPHENYL)ACRYLATE in a non… · 4D3 A404 · binds THR37, MET39, GLY72, ALA73, PHE74, TYR82, ALA85, ALA116 and 8 more
  • 4YIL · OYE1 W116A complexed with (Z)-methyl 3-cyano-3-(4-fluorophenyl) acrylate in a non… · 4D3 A404 · binds THR37, MET39, GLY72, ALA73, PHE74, TYR82, ALA85, ALA116 and 8 more

Residues it binds most

ALA 2, PHE 2, TYR 2, ASN 2, GLY 2, HIS 2, LEU 2, MET 2, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • MG · Magnesium ion
  • NA · Sodium ion

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