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Ligand · A1A36

A1A36 · 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine

A1A36, 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine (C7 H12 N2 S, 156.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
A1A36
Formula
C7 H12 N2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1A36 in 2 structures; the first of them:

  • 7HHF · PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex… · A1A36 B103 · binds ASP30, MET15, TYR18, TRP21, PHE44, THR47, GLU49
  • 7HMQ · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with… · A1A36 B201 · binds ASN25, TRP27, MET39, SER54, ASN55, TYR56, PHE177, ASN178

Residues it binds most

ASN 1, MET 2, PHE 2, TRP 2, TYR 2, ASP 1, GLU 1, SER 1, THR 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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