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Ligand · HKB

HKB · ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene) anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide

HKB, ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene) anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide (C22 H18 N2 O6 S, 438.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
HKB
Formula
C22 H18 N2 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

HKB in 2 structures; the first of them:

  • 5Y65 · Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2 · HKB C302 · binds ASN17, ASN20, ARG21, PHE22, ARG90, TYR92, LYS100, VAL112 and 2 more
  • 5Y65 · Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2 · HKB C302 · binds ASN17, ASN20, ARG21, PHE22, ARG90, TYR92, LYS100, VAL112 and 2 more

Residues it binds most

ARG 2, ASN 2, LYS 2, PHE 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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