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Ligand · 868

868 · S-[2-[3-[[(2S)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2R)-2-azanylpropanethioate

868, S-[2-[3-[[(2S)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2R)-2-azanylpropanethioate (C14 H28 N3 O8 P S, 429.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
868
Formula
C14 H28 N3 O8 P S
Class
ligand
Structures
2
PDB entries
1

Binding sites

868 in 2 structures; the first of them:

  • 7X17 · Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant-L-Ala · 868 A1301 · binds ASP767, SER768, LEU769, HIS953, ASP957, ASP958, SER1058, PHE1060 and 12 more
  • 7X17 · Structure of pseudomonas nrps protein, ambb-tc bound to ppant-L-ala · 868 A1301 · binds ASP767, SER768, LEU769, HIS953, ASP957, ASP958, SER1058, PHE1060 and 8 more

Residues it binds most

LEU 8, ALA 8, ASP 8, SER 8, VAL 8, HIS 8, PHE 8, TRP 8, GLY 4 (residue and the binding sites it lines).

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