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Ligand · 04J

04J · Aminopterin

04J, Aminopterin (C19 H20 N8 O5, 440.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
04J
Formula
C19 H20 N8 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

04J in 4 structures; the first of them:

  • 4KN1 · Human folate receptor beta (FOLR2) in complex with the antifolate aminopterin · 04J A301 · binds TYR76, PHE78, ASP97, THR98, TYR101, GLN116, SER117, TRP118 and 10 more
  • 4KY4 · Crystal structure of non-classical TS inhibitor 2 in complex with Toxoplasma gondii… · 04J A702 · binds VAL8, VAL9, ALA10, LEU23, TRP25, ASP31, PHE32, LYS33 and 10 more
  • 4KN1 · Human folate receptor beta (FOLR2) in complex with the antifolate aminopterin · 04J A301 · binds TYR76, PHE78, ASP97, THR98, TYR101, GLN116, SER117, TRP118 and 10 more
  • 4KY4 · Crystal structure of non-classical ts inhibitor 2 in complex with toxoplasma gondii… · 04J A702 · binds VAL8, VAL9, ALA10, LEU23, TRP25, ASP31, PHE32, LYS33 and 10 more

Residues it binds most

PHE 18, VAL 16, TRP 16, LEU 16, THR 18, ARG 18, SER 18, ASP 18, ALA 16, LYS 16 (residue and the binding sites it lines).

Found with

  • 1UE · 2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • UMP · 2'-deoxyuridine 5'-monophosphate
  • K · Potassium ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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