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Ligand · WTA

WTA · 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine

WTA, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine (C12 H18 N5 O7 P, 375.3 g/mol), in the MolNFT structures on GenesisL1: bound in 13 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
WTA
Formula
C12 H18 N5 O7 P
Class
ligand
Structures
13
PDB entries
8

Binding sites

WTA in 13 structures; the first of them:

  • 7KNO · Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate… · WTA A701 · binds TRP334, ILE335, THR336, SER410, VAL411, GLY412, GLU413, PRO414 and 11 more
  • 7KQZ · Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate… · WTA A701 · binds ILE327, THR328, VAL402, GLY403, GLU404, PRO405, ASP427, THR428 and 8 more
  • 7KVY · Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate… · WTA A802 · binds ILE326, THR327, VAL401, GLY402, GLU403, PRO404, ASP426, THR427 and 11 more
  • 7L3P · Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate… · WTA A701 · binds ILE326, THR327, VAL401, GLY402, GLU403, PRO404, ASP426, THR427 and 10 more
  • 7MMZ · Crystal Structure of Acetyl-coenzyme A synthetase from Legionella pneumophila… · WTA A701 · binds ILE288, THR289, SER363, VAL364, GLY365, GLU366, PRO367, ASP389 and 11 more
  • 8U2R · Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP… · WTA A802 · binds ILE362, THR363, SER437, VAL438, GLY439, GLU440, PRO441, ASP463 and 11 more
  • 8U2S · Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP… · WTA A812 · binds THR316, ILE362, THR363, VAL438, GLY439, GLU440, PRO441, ASP463 and 11 more
  • 9C8S · CryoEM structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with… · WTA A701 · binds TRP334, ILE335, THR336, VAL411, GLY412, GLU413, PRO414, ASP436 and 11 more
  • 7KNO · Crystal structure of acetyl-CoA synthetase in complex with adenosine- 5'-ethylphosphate… · WTA A701 · binds TRP334, ILE335, VAL411, GLY412, GLU413, PRO414, ASP436, THR437 and 7 more
  • 7KQZ · Crystal structure of acetyl-CoA synthetase in complex with adenosine- 5'-ethylphosphate… · WTA A701 · binds ILE327, THR328, VAL402, GLY403, GLU404, PRO405, ASP427, THR428 and 8 more
  • 7KVY · Crystal structure of acetyl-CoA synthetase in complex with adenosine- 5'-ethylphosphate… · WTA A802 · binds ILE326, THR327, VAL401, GLY402, GLU403, PRO404, ASP426, THR427 and 9 more
  • 7L3P · Crystal structure of acetyl-CoA synthetase in complex with adenosine- 5'-ethylphosphate… · WTA A701 · binds ILE326, GLY402, GLU403, PRO404, ASP426, THR427, TYR428, TRP429 and 7 more
  • 7MMZ · Crystal structure of acetyl-coenzyme a synthetase from legionella pneumophila… · WTA A701 · binds ILE288, THR289, VAL364, GLY365, GLU366, PRO367, ASP389, THR390 and 8 more

Residues it binds most

THR 20, ASP 20, ILE 20, ARG 20, GLU 20, TRP 20, GLY 20, PRO 20, VAL 19, TYR 15 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • COA · Coenzyme A
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • CL · Chloride ion
  • CAC · Cacodylate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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