Ligand · BUD

BUD · (2S,3S)-butane-2,3-diol

BUD, (2S,3S)-butane-2,3-diol (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: BUD
Formula: C4 H10 O2
Class: ligand
Structures: 4
PDB entries: 3

Binding sites

BUD in 4 structures; the first of them:

5D7S · Crystal structure of MOR04357, a neutralizing anti-human GM-CSF antibody Fab fragment · BUD L301 · binds SER112, VAL113, THR114, LEU133, ILE134, SER135, SER134, HIS168 and 3 more
6Y1W · Xcc4156, a flavin-dependent halogenase from Xanthomonas campestris · BUD A606 · binds ILE60, PRO61, HIS103, PHE105, GLU344, LEU436, PHE437, ALA438 and 1 more
9GIQ · BFL1 covalently bound to inhibitor compound 13 · BUD A201 · binds GLU49, LEU56, ASP57, ILE98, LYS101, LYS102
6Y1W · XCC4156, a flavin-dependent halogenase from xanthomonas campestris · BUD A606 · binds ILE60, PRO61, HIS103, PHE105, LEU436, PHE437, ALA438, SER441

Residues it binds most

ARG 13, ALA 12, SER 10, THR 10, ASP 10, ILE 10, VAL 9, HIS 9, PHE 5, LEU 8 (residue and the binding sites it lines).

Found with

BU9 · Meso-2,3-Butanediol
PO4 · Phosphate ion
MES · 2-(N-morpholino)-ethanesulfonic acid
TLA · L(+)-tartaric acid
A1ILV · ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide

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