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Ligand · GOJ

GOJ · ethyl 1~{H}-pyrazole-4-carboxylate

GOJ, ethyl 1~{H}-pyrazole-4-carboxylate (C6 H8 N2 O2, 140.1 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
GOJ
Formula
C6 H8 N2 O2
Class
ligand
Structures
5
PDB entries
4

Binding sites

GOJ in 5 structures; the first of them:

  • 5QHI · PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)… · GOJ A310 · binds VAL149, ALA151, TYR177, LEU233, CYS236, ASP270, PHE273, ARG274 and 1 more
  • 7GPL · PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in… · GOJ A201 · binds PHE140, PRO141, THR142, ARG143, GLN146, PHE4, ASP99, VAL101 and 2 more
  • 5QHI · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · GOJ A310 · binds VAL149, ALA151, TYR177, LEU233, CYS236, ASP270, PHE273, ARG274 and 1 more
  • 5RKG · Pandda analysis group deposition -- crystal structure of phip in complex with Z1124201124 · GOJ A1501 · binds PRO1340, VAL1345, SER1392, TYR1395, THR1396, PRO1397, SER1401, ILE1403 and 1 more
  • 5S5U · Tubulin-Z1124201124-complex · GOJ B505 · binds VAL177, SER178, ASP179, PRO222, THR223, TYR224, LEU227
  • 6QOS · Crystal structure of trmd, a tRNA-(N1G37) methyltransferase, from mycobacterium abscessus… · GOJ A301 · binds PRO83, THR84, PRO85, GLY109, TYR111, SER132, ILE133, GLY134 and 4 more

Residues it binds most

TYR 8, GLY 3, PRO 5, VAL 8, LEU 7, ASP 6, PHE 5, ARG 5, SER 4, THR 5 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • EDO · 1,2-ethanediol
  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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