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Ligand · 60P

60P · 3-methylthiophene-2-carboxylic acid

60P, 3-methylthiophene-2-carboxylic acid (C6 H6 O2 S, 142.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
60P
Formula
C6 H6 O2 S
Class
ligand
Structures
5
PDB entries
4

Binding sites

60P in 5 structures; the first of them:

  • 5RJW · PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z256709556 · 60P A1501 · binds PHE1341, VAL1345, TYR1350, SER1392, TYR1395, THR1396, ILE1403, TYR1404
  • 7G8D · ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474228 · 60P B501 · binds PRO71, LEU72, TYR74, PRO75, PHE106, SER346, LYS350
  • 7GNV · PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in… · 60P B201 · binds ARG19, THR20, GLU21, ILE46, ILE47, TYR48
  • 5RJW · Pandda analysis group deposition -- crystal structure of phip in complex with Z256709556 · 60P A1501 · binds PHE1341, VAL1345, TYR1350, SER1392, TYR1395, THR1396, ILE1403, TYR1404
  • 5SL6 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with… · 60P D606 · binds TYR296, ILE298, LEU303, LYS423

Residues it binds most

TYR 7, LYS 4, PHE 5, ILE 4, THR 4, LEU 3, SER 3, VAL 3, ARG 2, ASN 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide
  • FMT · Formic acid

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