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Ligand · A1A4A

A1A4A · (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

A1A4A, (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (C9 H13 N3 O2 S, 227.3 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…

Component
A1A4A
Formula
C9 H13 N3 O2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1A4A in 2 structures; the first of them:

  • 7HGH · PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex… · A1A4A B103 · binds ALA29, ASP30, GLY31, MET15, TYR18, TRP21, PHE44, THR47 and 1 more
  • 7HLN · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z26823525 · A1A4A B201 · binds ASN25, TRP27, MET39, SER54, ASN55, TYR56, PHE177, ASN178 and 1 more

Residues it binds most

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

Found with

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

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