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Ligand · THV

THV · C2-1-hydroxy-3-methyl-propyl-thiamin diphosphate

THV, C2-1-hydroxy-3-methyl-propyl-thiamin diphosphate (C16 H26 N4 O8 P2 S, 496.4 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…

Component
THV
Formula
C16 H26 N4 O8 P2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

THV in 4 structures; the first of them:

  • 2BEU · Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal… · THV A601 · binds PHE85, MET87, GLU92, GLN112, TYR113, ARG114, SER162, PRO163 and 12 more
  • 2J9F · Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase E1b · THV A1403 · binds PHE85, MET87, GLN112, TYR113, ARG114, SER162, PRO163, LEU164 and 17 more
  • 2BEU · Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal… · THV A601 · binds PHE85, MET87, GLU92, GLN112, TYR113, ARG114, SER162, PRO163 and 12 more
  • 2J9F · Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase E1B · THV A1403 · binds PHE85, MET87, GLN112, TYR113, ARG114, SER162, PRO163, LEU164 and 17 more

Residues it binds most

GLU 6, TYR 6, ALA 6, ARG 6, GLY 6, GLN 6, HIS 6, LEU 6, ASN 6, ILE 6 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • MN · Manganese (II) ion
  • GOL · Glycerol
  • CL · Chloride ion
  • SO4 · Sulfate ion

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