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Ligand · 82U

82U · 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid

82U, 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid (C17 H20 N2 O5 S, 364.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
82U
Formula
C17 H20 N2 O5 S
Class
ligand
Structures
3
PDB entries
3

Binding sites

82U in 3 structures; the first of them:

  • 7S1X · Cryo-EM structure of human NKCC1 K289NA492EL671C bound with bumetanide · 82U B1301 · binds ILE299, GLY301, VAL302, MET303, LEU304, ARG307, ALA379, MET382 and 11 more
  • 7S1Y · Cryo-EM structure of human NKCC1 K289NA492E bound with bumetanide · 82U A1303 · binds ILE299, GLY301, VAL302, MET303, ARG307, ALA379, MET382, TYR383 and 12 more
  • 7SMP · CryoEM structure of NKCC1 Bu-I · 82U B1301 · binds MET794, THR795, GLY796, ALA797, SER800, ARG801, HIS822, VAL823 and 7 more

Residues it binds most

ALA 7, ILE 6, MET 7, GLY 7, VAL 7, PHE 6, ARG 7, SER 7, THR 7, TYR 7 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • CL · Chloride ion

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