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Ligand · SHW

SHW · S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate

SHW, S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate (C19 H37 N2 O9 P S, 500.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
SHW
Formula
C19 H37 N2 O9 P S
Class
ligand
Structures
2
PDB entries
1

Binding sites

SHW in 2 structures; the first of them:

  • 2KOQ · NMR solution structures of 3-hydroxyoctanoyl-ACP from Streptomyces coelicolor Fatty Acid… · SHW A101 · binds LEU11, PHE32, THR33, SER40, LEU41, MET43, VAL46, VAL47 and 6 more
  • 2KOQ · NMR solution structures of 3-hydroxyoctanoyl-acp from streptomyces coelicolor fatty acid… · SHW A101 · binds LEU11, PHE32, THR33, SER40, LEU41, MET43, VAL46, VAL47 and 6 more

Residues it binds most

LEU 2, VAL 2, ALA 2, LYS 2, MET 2, PHE 2, SER 2, THR 2 (residue and the binding sites it lines).

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