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Ligand · 22J

22J · (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid

22J, (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid (C12 H8 F2 O4, 254.2 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…

Component
22J
Formula
C12 H8 F2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

22J in 2 structures; the first of them:

  • 4LXI · Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from… · 22J A301 · binds GLY33, GLY34, GLY35, ALA38, ASN43, ASN104, ALA105, MET106 and 11 more
  • 4LXI · Crystal structure of the S105A mutant of a carbon-carbon bond hydrolase, DXNB2 from… · 22J A301 · binds GLY33, GLY34, GLY35, ALA38, ASN43, ASN104, ALA105, MET106 and 11 more

Residues it binds most

MET 2, GLY 2, LEU 2, ALA 2, ASN 2, VAL 2, ARG 2, HIS 2, TRP 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion

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