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Ligand · EAA

EAA · Ethacrynic acid

EAA, Ethacrynic acid (C13 H12 Cl2 O4, 303.1 g/mol), in the MolNFT structures on GenesisL1: bound in 20 records (10 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
EAA
Formula
C13 H12 Cl2 O4
Class
ligand
Structures
20
PDB entries
10

Binding sites

EAA in 20 structures; the first of them:

  • 11GS · Glutathione s-transferase complexed with ethacrynic acid-glutathione conjugate (form ii) · EAA A211 · binds TYR7, PHE8, VAL10, GLY12, ARG13, VAL35, ILE104, TYR108 and 1 more
  • 1GSE · Glutathione transferase A1-1 complexed with an ethacrynic acid glutathione conjugate… · EAA A224 · binds TYR9, PHE10, ALA12, ARG13, GLY14, LYS15, LEU107, PRO110 and 5 more
  • 1GSF · Glutathione transferase A1-1 complexed with ethacrynic acid · EAA A223 · binds TYR9, PHE10, GLY14, ARG15, VAL55, PRO56, LEU107, LEU108 and 6 more
  • 2GSS · Human glutathione S-transferase P1-1 in complex with ethacrynic acid · EAA A0 · binds TYR7, PHE8, VAL10, ARG13, VAL35, TRP38, ILE104, TYR108 and 2 more
  • 3DGQ · Crystal structure of the glutathione transferase PI enzyme in complex with the… · EAA A211 · binds TYR7, GLY12, ARG13, LEU52, PRO53, ILE104, SER105, TYR108 and 1 more
  • 3GSS · Human glutathione S-transferase P1-1 in complex with ethacrynic acid-glutathione conjugate · EAA A212 · binds TYR7, PHE8, VAL10, ILE104, TYR108, THR109, GLY205
  • 3HJO · Crystal Structure of Glutathione Transferase Pi Y108V Mutant in Complex with the… · EAA A211 · binds TYR7, PHE8, VAL10, GLY12, ARG13, VAL35, TRP38, GLN39 and 4 more
  • 3KM6 · Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the… · EAA A222 · binds TYR7, PHE8, VAL10, GLY12, VAL35, TRP38, GLN39, ILE104 and 4 more
  • 3KMO · Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the… · EAA A214 · binds TYR7, PHE8, VAL10, GLY12, VAL35, TRP38, GLN39, VAL108 and 3 more
  • 3N9J · Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin · EAA A210 · binds TYR7, PHE8, VAL10, ARG13, VAL35, TRP38, ILE104, TYR108 and 1 more
  • 11GS · Glutathione S-transferase complexed with ethacrynic acid-glutathione conjugate (form II) · EAA A211 · binds TYR7, PHE8, VAL10, GLY12, ARG13, VAL35, ILE104, TYR108 and 1 more
  • 1GSE · Glutathione transferase A1-1 complexed with an ethacrynic acid glutathione conjugate… · EAA A224 · binds TYR9, PHE10, ALA12, ARG13, GLY14, LYS15, LEU107, PRO110 and 5 more
  • 1GSF · Glutathione transferase A1-1 complexed with ethacrynic acid · EAA A223 · binds TYR9, PHE10, GLY14, ARG15, VAL55, PRO56, LEU107, LEU108 and 6 more
  • 2GSS · Human glutathione S-transferase P1-1 in complex with ethacrynic acid · EAA A0 · binds TYR7, PHE8, VAL10, ARG13, VAL35, TRP38, ILE104, TYR108 and 2 more
  • 3DGQ · Crystal structure of the glutathione transferase pi enzyme in complex with the… · EAA A211 · binds TYR7, GLY12, ARG13, LEU52, PRO53, ILE104, SER105, TYR108 and 1 more
  • 3GSS · Human glutathione S-transferase P1-1 in complex with ethacrynic acid- glutathione… · EAA A212 · binds TYR7, PHE8, VAL10, ILE104, TYR108, THR109, GLY205
  • 3HJO · Crystal structure of glutathione transferase pi Y108V mutant in complex with the… · EAA A211 · binds TYR7, PHE8, VAL10, GLY12, ARG13, VAL35, TRP38, GLN39 and 4 more
  • 3KM6 · Crystal structure of the human GST pi C47S/Y108V double mutant in complex with the… · EAA A222 · binds TYR7, PHE8, VAL10, GLY12, VAL35, TRP38, GLN39, ILE104 and 4 more
  • 3KMO · Crystal structure of the human GST pi C47S/Y108V double mutant in complex with the… · EAA A214 · binds TYR7, PHE8, VAL10, GLY12, VAL35, TRP38, GLN39, VAL108 and 3 more

Residues it binds most

VAL 36, PHE 40, TYR 40, GLY 42, ILE 30, LEU 14, ARG 28, ASN 18, TRP 18, ALA 12 (residue and the binding sites it lines).

Found with

  • GSH · Glutathione
  • CA · Calcium ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • SO4 · Sulfate ion
  • CL · Chloride ion
  • PT · Platinum (II) ion
  • CO3 · Carbonate ion
  • BME · Beta-mercaptoethanol

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