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Ligand · 1Q9

1Q9 · N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine

1Q9, N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine (C12 H17 N5 O, 247.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
1Q9
Formula
C12 H17 N5 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

1Q9 in 6 structures; the first of them:

  • 4KAC · X-Ray Structure of the complex HaloTag2 with HALTS. Northeast Structural Genomics… · 1Q9 A401 · binds ASN52, PRO53, ASP117, TRP118, TRP152, PRO153, PHE155, ALA156 and 12 more
  • 4KAJ · X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast… · 1Q9 A301 · binds ASN41, PRO42, ASP106, TRP107, TRP141, PRO142, PHE144, ALA145 and 13 more
  • 4KYV · Crystal Structure of dehalogenase HaloTag2 with HALTS at the resolution 1.8A. Northeast… · 1Q9 A401 · binds ASN52, PRO53, ASP117, TRP118, TRP152, PRO153, PHE155, ALA156 and 12 more
  • 4KAC · X-ray structure of the complex HALOTAG2 with halts. northeast structural genomics… · 1Q9 A401 · binds ASN52, PRO53, ASP117, TRP118, TRP152, PRO153, PHE155, ALA156 and 12 more
  • 4KAJ · X-ray structure of the complex of haloalkane dehalogenase HALOTAG7 with halts, northeast… · 1Q9 A301 · binds ASN41, PRO42, ASP106, TRP107, TRP141, PRO142, PHE144, ALA145 and 13 more
  • 4KYV · Crystal structure of dehalogenase HALOTAG2 with halts at the resolution 1.8A. northeast… · 1Q9 A401 · binds ASN52, PRO53, ASP117, TRP118, TRP152, PRO153, PHE155, ALA156 and 12 more

Residues it binds most

PHE 10, LEU 10, PRO 10, TRP 10, ALA 10, ASN 10, ASP 10, GLY 10, VAL 10, MSE 8 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • MN · Manganese (II) ion
  • NH4 · Ammonium ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol

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