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Ligand · U20

U20 · uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-N-acetyl-D-glucosamine

U20, uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-N-acetyl-D-glucosamine (C31 H53 N3 O19 P2, 833.7 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å…

Component
U20
Formula
C31 H53 N3 O19 P2
Class
ligand
Structures
8
PDB entries
4

Binding sites

U20 in 8 structures; the first of them:

  • 6P9Q · E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2 · U20 A301 · binds GLN73, ASP74, LEU75, LYS76, HIS122, ALA124, HIS125, THR140 and 13 more
  • 6P9R · E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 6 · U20 A301 · binds GLN73, ASP74, LEU75, LYS76, HIS122, ALA124, HIS125, THR140 and 13 more
  • 6P9S · E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7 · U20 A301 · binds GLN73, ASP74, LEU75, LYS76, HIS122, ALA124, HIS125, THR140 and 13 more
  • 6P9T · E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 8 · U20 A301 · binds GLN73, ASP74, LEU75, LYS76, HIS122, ALA124, HIS125, THR140 and 11 more
  • 6P9Q · E.COLI lpxa in complex with udp-3-O-(R-3-hydroxymyristoyl)-glcnac and compound 2 · U20 A301 · binds GLN73, ASP74, LEU75, LYS76, HIS122, ALA124, HIS125, THR140 and 10 more
  • 6P9R · E.COLI lpxa in complex with udp-3-O-(R-3-hydroxymyristoyl)-glcnac and compound 6 · U20 A301 · binds GLN73, ASP74, LEU75, LYS76, HIS122, ALA124, HIS125, THR140 and 11 more
  • 6P9S · E.COLI lpxa in complex with udp-3-O-(R-3-hydroxymyristoyl)-glcnac and compound 7 · U20 A301 · binds GLN73, ASP74, LEU75, LYS76, HIS122, ALA124, HIS125, THR140 and 10 more
  • 6P9T · E.COLI lpxa in complex with udp-3-O-(R-3-hydroxymyristoyl)-glcnac and compound 8 · U20 A301 · binds GLN73, ASP74, LEU75, LYS76, HIS122, ALA124, HIS125, THR140 and 11 more

Residues it binds most

HIS 8, ALA 8, GLN 8, GLY 8, LEU 8, ASP 8, LYS 8, PHE 8, THR 8, VAL 5 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide
  • O5D · [3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3r)-3-[(2-chloro-6-methoxyphenyl) methyl]morpholin-4-yl}methanone
  • O5G · {(3R)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone
  • O5M · {(3R)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone
  • O5P · [(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone

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