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Ligand · IBQ

IBQ · Iodo-bedaquiline

IBQ, Iodo-bedaquiline (C32 H31 I N2 O2, 602.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
IBQ
Formula
C32 H31 I N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IBQ in 2 structures; the first of them:

  • 4V1H · Crystal structure of a mycobacterial ATP synthase rotor ring in complex with… · IBQ A1087 · binds GLY62, GLU65, ALA66, PHE69
  • 4V1H · Crystal structure of a mycobacterial ATP synthase rotor ring in complex with… · IBQ A1087 · binds GLY62, GLU65, ALA66, PHE69

Residues it binds most

ALA 6, GLU 6, GLY 6, PHE 6, LEU 2, ILE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • TAM · Tris(hydroxyethyl)aminomethane

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