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Ligand · U5B

U5B · 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid

U5B, 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid (C14 H12 O2 S, 244.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
U5B
Formula
C14 H12 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

U5B in 2 structures; the first of them:

  • 7BNC · Notum fragment_126 (2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetic acid) · U5B A610 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 9 more
  • 7BNC · Notum FRAGMENT_126 (2-(1,2-dihydroacenaphthylen-5-YLSULFANYL)ACETIC acid) · U5B A610 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 9 more

Residues it binds most

PHE 2, ALA 2, GLY 2, VAL 2, GLU 2, HIS 2, ILE 2, PRO 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • GOL · Glycerol

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