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Ligand · MMV

MMV · 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)propanoic acid

MMV, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)propanoic acid (C18 H24 N4 O4, 360.4 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (7 PDB entries). Every binding site with its residues within 4.5 Å…

Component
MMV
Formula
C18 H24 N4 O4
Class
ligand
Structures
9
PDB entries
7

Binding sites

MMV in 9 structures; the first of them:

  • 6E4E · Crystal structure of dihydrofolate reductase from Staphylococcus aureus MW2 bound to NADP… · MMV A202 · binds LEU5, VAL6, ALA7, ASN18, GLN19, LEU20, ASP27, LEU28 and 8 more
  • 7K6C · Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium abscessus ATCC… · MMV A202 · binds ILE8, TRP9, ALA10, ILE23, ASP30, GLN31, PHE34, LYS35 and 10 more
  • 5U26 · Crystal structure of mycobacterium tuberculosis dihydrofolate reductase bound to NADP and… · MMV A201 · binds ILE5, TRP6, ALA7, ILE20, ASP27, GLN28, PHE31, ARG32 and 7 more
  • 5UJF · Crystal structure of mycobacterium tuberculosis dihydrofolate reductase bound P218… · MMV A205 · binds ILE5, TRP6, ALA7, GLY17, ILE20, ASP27, GLN28, PHE31 and 10 more
  • 6CXM · Crystal structure of a dihydrofolate reductase from mycobacterium smegmatis in complex… · MMV A202 · binds ILE6, TRP7, ALA8, ILE21, ASP28, LEU29, PHE32, LEU51 and 8 more
  • 6E4E · Crystal structure of dihydrofolate reductase from staphylococcus aureus MW2 bound to NADP… · MMV A202 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, VAL31, THR46 and 4 more
  • 6UWW · Crystal structure of dihydrofolate reductase from mycobacterium ulcerans with P218… · MMV A301 · binds ILE15, TRP16, ALA17, ILE30, ASP37, LEU38, PHE41, LYS42 and 8 more
  • 7K62 · Crystal structure of dihydrofolate reductase from mycobacterium kansasii in complex with… · MMV A202 · binds ILE4, TRP5, ALA6, ILE19, ASP26, LEU27, PHE30, LYS31 and 8 more
  • 7K6C · Crystal structure of dihydrofolate reductase (DHFR) from mycobacterium abscessus atcc… · MMV A202 · binds ILE8, TRP9, ALA10, ILE23, ASP30, GLN31, PHE34, LYS35 and 7 more

Residues it binds most

ILE 23, LEU 23, PRO 21, THR 22, ALA 23, PHE 23, ARG 21, ASP 23, TRP 21, TYR 21 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • EDO · 1,2-ethanediol
  • SO4 · Sulfate ion
  • CA · Calcium ion

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