GL1X · GenesisL1 explorer

Ligand · 87E

87E · (2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R, 3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3, 4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid

87E, (2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R, 3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3, 4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxy…

Component
87E
Formula
C23 H36 N4 O21 P2
Class
ligand
Structures
2
PDB entries
1

Binding sites

87E in 2 structures; the first of them:

  • 7W1G · Crystal structure of YfiH with C107A mutation in complex with UDP-MurNAc-L-Serine · 87E C301 · binds GLN69, HIS71, MET103, THR104, ALA105, ASP106, ALA107, HIS124 and 15 more
  • 7W1G · Crystal structure of yfih with C107A mutation in complex with udp- murnac-L-serine · 87E C301 · binds GLN69, HIS71, MET103, THR104, ALA105, ASP106, ALA107, HIS124 and 14 more

Residues it binds most

ARG 4, ALA 4, GLY 4, HIS 4, VAL 4, GLU 4, ILE 4, ASP 4, GLN 4, LYS 4 (residue and the binding sites it lines).

Found with

  • EPZ · (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy) phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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