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Ligand · TKT

TKT · (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate

TKT, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate (C17 H20 N2 O2, 284.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
TKT
Formula
C17 H20 N2 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

TKT in 3 structures; the first of them:

  • 6HIS · Mouse serotonin 5-HT3 receptor, tropisetron-bound, T conformation · TKT A501 · binds ASP42, ILE44, TRP63, ARG65, TYR126, ARG169, ASN101, THR154 and 4 more
  • 5OAJ · Crystal structure of mutant achbp in complex with tropisetron (T53F, Q74R, Y110A, I135S… · TKT E601 · binds GLU162, SER163, TRP164, TYR205, CYS207, CYS208, TYR212, PHE53 and 2 more
  • 6HIS · Mouse serotonin 5-HT3 receptor, tropisetron-bound, T conformation · TKT A508 · binds ASP42, ILE44, TRP63, ARG65, ARG169, ASN101, TRP156, TYR207

Residues it binds most

ARG 12, TRP 12, TYR 12, ILE 10, ASN 10, ASP 10, SER 7, THR 5, CYS 2, GLU 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • BMA · beta-D-mannopyranose
  • EDO · 1,2-ethanediol
  • FLC · Citrate anion

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