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Ligand · HE3

HE3 · 2-hydroxyethyl dihydrothiachrome diphosphate

HE3, 2-hydroxyethyl dihydrothiachrome diphosphate (C14 H22 N4 O8 P2 S, 468.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
HE3
Formula
C14 H22 N4 O8 P2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

HE3 in 4 structures; the first of them:

  • 1OZG · The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound… · HE3 A700 · binds MET394, GLY395, SER396, PHE397, GLN420, THR421, MET422, GLY446 and 12 more
  • 1OZH · The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound… · HE3 A1406 · binds MET394, GLY395, SER396, PHE397, GLN420, THR421, MET422, GLY446 and 19 more
  • 1OZG · The crystal structure of klebsiella pneumoniae acetolactate synthase with enzyme-bound… · HE3 A700 · binds MET394, GLY395, SER396, PHE397, GLN420, THR421, MET422, GLY446 and 12 more
  • 1OZH · The crystal structure of klebsiella pneumoniae acetolactate synthase with enzyme-bound… · HE3 A1406 · binds MET394, GLY395, SER396, PHE397, GLN420, THR421, MET422, GLY446 and 19 more

Residues it binds most

GLY 12, MET 12, GLN 12, ASP 12, TYR 12, ASN 12, THR 12, PRO 8, PHE 12, SER 12 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • PO4 · Phosphate ion
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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