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Ligand · J4Q

J4Q · 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole

J4Q, 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole (C8 H9 N3 O2 S2, 243.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
J4Q
Formula
C8 H9 N3 O2 S2
Class
ligand
Structures
3
PDB entries
3

Binding sites

J4Q in 3 structures; the first of them:

  • 7HLL · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with… · J4Q B202 · binds ASN55, GLY95, GLN96
  • 5QRD · Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with… · J4Q B602 · binds TRP570, SER573, TYR574, TYR413
  • 6QJE · Structure of human galactokinase 1 bound with 4-{[2-(methylsulfonyl)… · J4Q A403 · binds ARG105, ASN108, TYR109, PHE177, ALA178, GLY179

Residues it binds most

ALA 3, GLY 4, TYR 3, ASN 3, ARG 2, GLN 2, LEU 1, PHE 2, SER 2, ASP 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • HFK · 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
  • PLP · Pyridoxal-5'-phosphate
  • GAL · beta-D-galactopyranose
  • EDO · 1,2-ethanediol

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