Ligand · 0RE
0RE · (2S)-hexane-1,2-diol
0RE, (2S)-hexane-1,2-diol (C6 H14 O2, 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
- 0RE
- Formula
- C6 H14 O2
- Class
- ligand
- Structures
- 5
- PDB entries
- 3
Binding sites
0RE in 5 structures; the first of them:
- 4EUS · Crystal structure of the CFTR inhibitory factor Cif bound to 1,2-hexanediol · 0RE B401 · binds PHE63, ASP129, ILE130, TRP133, GLU153, ALA154, PRO155, VAL175 and 6 more
- 6ZTU · Crystal structure of a cyclodipeptide synthase from Bacillus thermoamylovorans · 0RE A301 · binds GLY31, ILE32, SER33, LEU61, LEU62, ALA63, PHE112, TYR175 and 4 more
- 7AZU · Crystal structure of a cyclodipeptide synthase from Bacillus thermoamylovorans · 0RE A301 · binds GLY31, ILE32, SER33, LEU61, LEU62, ALA63, PHE112, TYR175 and 4 more
- 6ZTU · Crystal structure of a cyclodipeptide synthase from bacillus thermoamylovorans · 0RE A301 · binds GLY31, ILE32, LEU61, LEU62, ALA63, TYR175, GLU179, PHE183 and 1 more
- 7AZU · Crystal structure of a cyclodipeptide synthase from bacillus thermoamylovorans · 0RE A301 · binds ILE32, SER33, LEU61, LEU62, ALA63, TYR175, GLU179, PHE183 and 1 more
Residues it binds most
LEU 5, TYR 6, PHE 6, ALA 6, GLU 6, HIS 2, ILE 6, GLY 3, SER 3, ASP 2 (residue and the binding sites it lines).
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