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Ligand · 4AA

4AA · 4-chloro-3-hydroxyanthranilic acid

4AA, 4-chloro-3-hydroxyanthranilic acid (C7 H6 Cl N O3, 187.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
4AA
Formula
C7 H6 Cl N O3
Class
ligand
Structures
3
PDB entries
3

Binding sites

4AA in 3 structures; the first of them:

  • 6BVQ · Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase N27A from cupriavidus… · 4AA A203 · binds VAL41, GLU57, PHE59, PRO97, ARG99, VAL108, GLU110, ILE142
  • 6BVS · Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from cupriavidus… · 4AA A401 · binds VAL41, ARG47, GLU57, PHE59, PRO97, ARG99, VAL108, GLU110
  • 6D61 · Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from cupriavidus… · 4AA A203 · binds ASN27, THR39, VAL41, GLU57, PHE59, PRO97, ARG99, VAL108 and 1 more

Residues it binds most

GLU 3, VAL 3, ARG 3, PHE 3, PRO 3, ASN 1, ILE 1, THR 1 (residue and the binding sites it lines).

Found with

  • FE2 · Fe (II) ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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