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Ligand · J3C

J3C · (7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol

J3C, (7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol (C18 H19 N3 O2, 309.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
J3C
Formula
C18 H19 N3 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

J3C in 6 structures; the first of them:

  • 7EFL · Crystal structure of the gastric proton pump K791S in (BYK)E2BeF state · J3C A1105 · binds CYS120, ALA123, GLN127, ASP137, ASN138, LEU141, VAL331, MET334 and 11 more
  • 7EFM · Crystal structure of the gastric proton pump K791S/E820D/Y340N in (BYK)E2BeF state · J3C A1104 · binds CYS120, ALA123, GLN127, ASP137, ASN138, LEU141, VAL331, MET334 and 10 more
  • 7EFN · Crystal structure of the gastric proton pump K791S/E820D/Y340N/E936V in (BYK)E2BeF state · J3C A1104 · binds CYS120, ALA123, ASP137, ASN138, LEU141, VAL331, MET334, ALA335 and 11 more
  • 7EFL · Crystal structure of the gastric proton pump K791S in (BYK)E2BEF state · J3C A1105 · binds ALA123, GLN127, ASP137, ASN138, VAL331, MET334, ALA335, ALA339 and 4 more
  • 7EFM · Crystal structure of the gastric proton pump K791S/E820D/Y340N in (BYK)E2BEF state · J3C A1104 · binds ALA123, GLN127, ASP137, ASN138, LEU141, VAL331, MET334, ALA335 and 7 more
  • 7EFN · Crystal structure of the gastric proton pump K791S/E820D/Y340N/E936V in (BYK)E2BEF state · J3C A1104 · binds ALA123, ASP137, ASN138, VAL331, MET334, ALA335, VAL338, ALA339 and 6 more

Residues it binds most

LEU 6, ALA 6, CYS 6, VAL 6, ASN 6, ASP 6, GLU 6, MET 6, TYR 6, GLN 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • RB · Rubidium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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