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Ligand · KUE

KUE · ~{N}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide

KUE, ~{N}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide (C24 H28 N4 O5 S, 484.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
KUE
Formula
C24 H28 N4 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

KUE in 2 structures; the first of them:

  • 6S43 · Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric… · KUE A501 · binds LEU303, THR304, GLY305, LEU429, LYS430, ARG432, PRO302, LEU303 and 8 more
  • 6S43 · Fumarate hydratase of mycobacterium tuberculosis in complex with formate and allosteric… · KUE A501 · binds LEU303, THR304, GLY305, LEU429, LYS430, ARG432, GLY305, ALA307 and 5 more

Residues it binds most

LEU 4, ARG 4, GLY 4, ALA 4, ASN 4, HIS 4, LYS 4, THR 4, PRO 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • FMT · Formic acid

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