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Ligand · AN3

AN3 · Anthracene

AN3, Anthracene (C14 H10, 178.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 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
AN3
Formula
C14 H10
Class
ligand
Structures
4
PDB entries
2

Binding sites

AN3 in 4 structures; the first of them:

  • 2HMM · Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Anthracene · AN3 A801 · binds ASN201, PHE202, ASP205, HIS208, VAL209, PHE224, LEU253, VAL260 and 4 more
  • 2HMN · Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Anthracene. · AN3 A701 · binds ASN201, PHE202, ASP205, ALA206, HIS208, VAL209, PHE224, LEU253 and 5 more
  • 2HMM · Crystal structure of naphthalene 1,2-dioxygenase bound to anthracene · AN3 A801 · binds ASN201, PHE202, ASP205, HIS208, VAL209, PHE224, LEU253, VAL260 and 4 more
  • 2HMN · Crystal structure of the naphthalene 1,2-dioxygenase F352V mutant bound to anthracene. · AN3 A701 · binds ASN201, PHE202, ASP205, ALA206, HIS208, VAL209, PHE224, LEU253 and 5 more

Residues it binds most

ASN 4, HIS 4, LEU 4, PHE 4, VAL 4, ASP 4, TRP 4, ALA 2 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • FE · Fe (III) ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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