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Ligand · I3A

I3A · 1H-indole-3-carbaldehyde

I3A, 1H-indole-3-carbaldehyde (C9 H7 N O, 145.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
I3A
Formula
C9 H7 N O
Class
ligand
Structures
2
PDB entries
2

Binding sites

I3A in 2 structures; the first of them:

  • 5A4U · AtGSTF2 from Arabidopsis thaliana in complex with indole-3-aldehyde · I3A A1213 · binds ILE99, MET100, ILE102, GLY103, VAL106, VAL150, TYR151, ARG154 and 5 more
  • 7F6X · Structural and mechanistic studies of a novel non-heme iron EPIMERASE/LYASE and its… · I3A A201 · binds PRO32, GLY49, GLY50, LEU55, VAL60, PHE111, CYS122, GLY124

Residues it binds most

ILE 8, VAL 7, ALA 8, PHE 7, TYR 8, GLY 7, LEU 7, ARG 6, MET 6, THR 6 (residue and the binding sites it lines).

Found with

  • GOA · Glycolic acid
  • FE · Fe (III) ion
  • ACT · Acetate ion

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