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Ligand · ESP

ESP · Thieno[2,3-b]pyridine-2-carboxamidine

ESP, Thieno[2,3-b]pyridine-2-carboxamidine (C8 H8 N3 S +1, 178.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
ESP
Formula
C8 H8 N3 S +1
Class
ligand
Structures
6
PDB entries
3

Binding sites

ESP in 6 structures; the first of them:

  • 1C5T · Structural basis for selectivity of a small molecule, S1-binding, sub-micromolar… · ESP A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1C5U · Structural basis for selectivity of a small molecule, S1-binding, sub-micromolar… · ESP A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1C5Y · Structural basis for selectivity of a small molecule, S1-binding, sub-micromolar… · ESP B251 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 7 more
  • 1C5T · Structural basis for selectivity of a small molecule, S1-binding, sub- micromolar… · ESP A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1C5U · Structural basis for selectivity of a small molecule, S1-binding, sub- micromolar… · ESP A246 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 7 more
  • 1C5Y · Structural basis for selectivity of a small molecule, S1-binding, sub- micromolar… · ESP B251 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 7 more

Residues it binds most

SER 6, GLY 6, CYS 6, ASP 6, GLN 6, TRP 6, VAL 6, HIS 4, TYR 4, ALA 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • FLC · Citrate anion

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