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Ligand · I4L

I4L · (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

I4L, (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid (C24 H22 N2 O12 S, 562.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
I4L
Formula
C24 H22 N2 O12 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

I4L in 2 structures; the first of them:

  • 7QZU · Structure of liver pyruvate kinase in complex with anthraqui derivative 47 · I4L A605 · binds THR62, ILE63, PRO65, ARG85, ASN87, SER89, HIS90, GLY91 and 8 more
  • 7QZU · Structure of liver pyruvate kinase in complex with anthraquinone derivative 47 · I4L A605 · binds THR62, ILE63, PRO65, ARG85, ASN87, SER89, HIS90, GLY91 and 8 more

Residues it binds most

GLY 12, HIS 12, SER 12, LYS 12, ALA 12, ARG 12, ASN 12, ASP 12, PRO 12, THR 12 (residue and the binding sites it lines).

Found with

  • FBP · 1,6-di-O-phosphono-beta-D-fructofuranose
  • OXL · Oxalate ion
  • K · Potassium ion
  • MG · Magnesium ion

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