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Ligand · HKW

HKW · 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3, 4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide

HKW, 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3, 4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide…

Component
HKW
Formula
C42 H55 N6 O5 +1
Class
ligand
Structures
1
PDB entries
1

Binding sites

HKW in 1 structure; the first of them:

  • 6Q6K · Crystal structure of recombinant human beta-glucocerebrosidase in complex with… · HKW A528 · binds ASP127, PHE128, TRP179, ASN234, GLU235, LEU241, SER242, GLY243 and 17 more

Residues it binds most

GLU 2, PHE 2, ASP 2, TRP 2, ASN 2, LEU 1, TYR 2, ARG 1, CYS 1, GLN 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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