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Ligand · U58

U58 · 3-(quinazolin-4-ylsulfanyl)propanoic acid

U58, 3-(quinazolin-4-ylsulfanyl)propanoic acid (C11 H10 N2 O2 S, 234.3 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 and the…

Component
U58
Formula
C11 H10 N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

U58 in 2 structures; the first of them:

  • 7BNB · Notum fragment_50 (3-(quinazolin-4-ylsulfanyl)propanoic acid) · U58 A505 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 8 more
  • 7BNB · Notum FRAGMENT_50 (3-(quinazolin-4-YLSULFANYL)PROPANOIC acid) · U58 A505 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 8 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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