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Ligand · RAR

RAR · 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine

RAR, 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine (C27 H30 N6 O3, 486.6 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding…

Component
RAR
Formula
C27 H30 N6 O3
Class
ligand
Structures
8
PDB entries
4

Binding sites

RAR in 8 structures; the first of them:

  • 3FL8 · Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with RAB1, a… · RAR A200 · binds MET6, VAL7, ALA8, ASN19, ASN20, LEU21, GLU28, LEU29 and 14 more
  • 3M08 · Wild Type Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1 · RAR A200 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, LYS29, VAL31 and 8 more
  • 3M09 · F98Y TMP-resistant Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1 · RAR A200 · binds LEU5, VAL6, ALA7, GLN19, LEU20, ASP27, LEU28, LYS29 and 10 more
  • 4M7V · Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H)and RAB-propyl · RAR A200 · binds ILE5, TRP6, ALA7, GLY18, LYS19, LEU20, ASP27, LEU28 and 10 more
  • 3FL8 · Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with RAB1, a… · RAR A200 · binds MET6, VAL7, ALA8, ASN19, ASN20, LEU21, GLU28, LEU29 and 14 more
  • 3M08 · Wild type dihydrofolate reductase from staphylococcus aureus with inhibitor RAB1 · RAR A200 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, LYS29, VAL31 and 8 more
  • 3M09 · F98Y tmp-resistant dihydrofolate reductase from staphylococcus aureus with inhibitor RAB1 · RAR A200 · binds LEU5, VAL6, ALA7, GLN19, LEU20, ASP27, LEU28, LYS29 and 10 more
  • 4M7V · Dihydrofolate reductase from enterococcus faecalis complexed with NADP(H)AND rab-propyl · RAR A200 · binds ILE5, TRP6, ALA7, GLY18, LYS19, LEU20, ASP27, LEU28 and 10 more

Residues it binds most

LEU 22, VAL 20, ALA 22, ARG 22, THR 22, ASN 16, LYS 22, ILE 22, PHE 22, PRO 22 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • GOL · Glycerol
  • CA · Calcium ion

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