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Ligand · 16N

16N · 2,3-dihydro-1H-indene

16N, 2,3-dihydro-1H-indene (C9 H10, 118.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
16N
Formula
C9 H10
Class
ligand
Structures
5
PDB entries
3

Binding sites

16N in 5 structures; the first of them:

  • 4HM4 · Naphthalene 1,2-Dioxygenase bound to indan · 16N A1006 · binds ASN201, PHE202, ASP205, HIS208, VAL209, PHE224, HIS295, ASN297 and 2 more
  • 4HM5 · Naphthalene 1,2-Dioxygenase bound to indene · 16N A1006 · binds ASN201, PHE202, ASP205, HIS208, VAL209, PHE224, HIS295, ASN297 and 2 more
  • 7YFT · Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex… · 16N A503 · binds LEU75, VAL78, ALA87, MET181, ILE263, ALA264, LEU437
  • 4HM4 · Naphthalene 1,2-dioxygenase bound to indan · 16N A1006 · binds ASN201, PHE202, ASP205, HIS208, VAL209, PHE224, HIS295, ASN297 and 2 more
  • 4HM5 · Naphthalene 1,2-dioxygenase bound to indene · 16N A1006 · binds ASN201, PHE202, ASP205, HIS208, VAL209, PHE224, HIS295, ASN297 and 2 more

Residues it binds most

PHE 4, ASN 4, HIS 4, LEU 6, VAL 6, ALA 2, ASP 4, ILE 2, MET 2, THR 1 (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
  • HEM · Protoporphyrin IX containing Fe
  • HOA · Hydroxyamine
  • IRV · (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid

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