Ligand · BQ1
BQ1 · Bedaquiline
BQ1, Bedaquiline (C32 H31 Br N2 O2, 555.5 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.
- Component
- BQ1
- Formula
- C32 H31 Br N2 O2
- Class
- ligand
- Structures
- 8
- PDB entries
- 6
Binding sites
BQ1 in 8 structures; the first of them:
- 7JGA · Cryo-EM structure of bedaquiline-saturated Mycobacterium smegmatis ATP synthase… · BQ1 1601 · binds PHE169, PRO172, ILE173, VAL176, ALA28, ASP32, GLY62, GLU65 and 8 more
- 7NJV · Mycobacterium smegmatis ATP synthase Fo combined class 2 · BQ1 N101 · binds ALA66, ALA67, ILE70, GLY62, GLU65, ALA66, TYR68, PHE69 and 4 more
- 8KI3 · Structure of the human ATP synthase bound to bedaquiline (composite) · BQ1 4101 · binds VAL18, ALA55, GLU58, GLY61, LEU62, LEU65, MET60, PHE63 and 3 more
- 7JG8 · Cryo-EM structure of bedaquiline-saturated mycobacterium smegmatis ATP synthase… · BQ1 1601 · binds LEU63, ALA67, GLY62, GLU65, ALA66
- 7JG9 · Cryo-EM structure of bedaquiline-saturated mycobacterium smegmatis ATP synthase… · BQ1 1601 · binds ALA66, ALA66, ALA67
- 7JGA · Cryo-EM structure of bedaquiline-saturated mycobacterium smegmatis ATP synthase… · BQ1 1601 · binds PRO172, ILE173, VAL176, ALA28, GLY62, GLU65, ALA66, TYR68 and 5 more
- 7JGC · Cryo-EM structure of bedaquiline-saturated mycobacterium smegmatis ATP synthase fo region · BQ1 1601 · binds PRO172, ILE173, VAL176, ALA28, GLY62, GLU65, ALA66, TYR68 and 5 more
- 7NJV · Mycobacterium smegmatis ATP synthase fo combined class 2 · BQ1 N101 · binds ALA66, ALA67, ILE70, GLY62, GLU65, ALA66, TYR68, PHE69 and 4 more
Residues it binds most
ALA 38, GLY 34, PHE 22, GLU 28, ILE 24, LEU 22, TYR 23, VAL 9, PRO 5, ASP 1 (residue and the binding sites it lines).
Found with
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