Ligand · 53R
53R · 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
53R, 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (C22 H22 N4 O, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å…
- Component
- 53R
- Formula
- C22 H22 N4 O
- Class
- ligand
- Structures
- 6
- PDB entries
- 3
Binding sites
53R in 6 structures; the first of them:
- 3EEJ · Candida glabrata Dihydrofolate Reductase complexed with… · 53R A229 · binds ILE9, VAL10, ALA11, GLY23, ASN24, LEU25, GLU32, MET33 and 10 more
- 3F0B · Staphylococcus aureus dihydrofolate reductase complexed with NADPH and… · 53R X158 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, VAL31, THR46 and 5 more
- 3F0U · Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and… · 53R X158 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, VAL31, LYS32 and 10 more
- 3EEJ · Candida glabrata dihydrofolate reductase complexed with 2,4-diamino-5… · 53R A229 · binds ILE9, VAL10, ALA11, GLY23, ASN24, LEU25, GLU32, MET33 and 10 more
- 3F0B · Staphylococcus aureus dihydrofolate reductase complexed with NADPH and… · 53R X158 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, VAL31, THR46 and 5 more
- 3F0U · Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and… · 53R X158 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, VAL31, LYS32 and 10 more
Residues it binds most
LEU 8, ILE 8, THR 8, PHE 8, VAL 8, ALA 8, SER 8, MET 6, TYR 6, ASN 4 (residue and the binding sites it lines).
Found with
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
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