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Ligand · BU9

BU9 · Meso-2,3-Butanediol

BU9, Meso-2,3-Butanediol (C4 H10 O2, 90.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 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
BU9
Formula
C4 H10 O2
Class
ligand
Structures
4
PDB entries
3

Binding sites

BU9 in 4 structures; the first of them:

  • 5JA2 · EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the non-Native MbtH-Like… · BU9 A1302 · binds SER606, LYS611, LEU819, SER822, ARG823, ARG837, ASP6
  • 6Y1W · Xcc4156, a flavin-dependent halogenase from Xanthomonas campestris · BU9 A611 · binds GLY20, VAL45, GLU46, SER47, ILE50, GLY185, ARG186, ILE187 and 3 more
  • 8AWY · Millisecond cryo-trapping by the spitrobot crystal plunger, Serial measurement Xylose… · BU9 A403 · binds TRP16, HIS54, THR90, PHE94, VAL135, TRP137, GLU181, GLU217 and 2 more
  • 6Y1W · XCC4156, a flavin-dependent halogenase from xanthomonas campestris · BU9 A611 · binds GLY20, VAL45, GLU46, SER47, ILE50, GLY185, ARG186, ILE187 and 2 more

Residues it binds most

ARG 4, LEU 4, SER 4, GLU 3, GLY 2, ILE 2, VAL 4, ASP 2, LYS 2, THR 2 (residue and the binding sites it lines).

Found with

  • BUD · (2S,3S)-butane-2,3-diol
  • PO4 · Phosphate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • TLA · L(+)-tartaric acid
  • 75C · 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine
  • MG · Magnesium ion

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