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Ligand · SXH

SXH · S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate

SXH, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate (C17 H33 N2 O8 P S, 456.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
SXH
Formula
C17 H33 N2 O8 P S
Class
ligand
Structures
4
PDB entries
2

Binding sites

SXH in 4 structures; the first of them:

  • 2KGA · NMR Solution Structures of hexanoyl ACP (a non natural intermediate) from the… · SXH A87 · binds SER42, LEU43, LEU45, MET46, ALA65, GLY66
  • 2KOO · NMR solution structures of hexanoyl-ACP from the Streptomyces coelicolor Fatty Acid… · SXH A101 · binds LEU11, SER31, PHE32, THR33, ASP39, SER40, MET43, VAL44 and 9 more
  • 2KGA · NMR solution structures of hexanoyl acp (a non natural intermediate) from the… · SXH A87 · binds SER42, LEU43, LEU45, MET46, ALA65, GLY66
  • 2KOO · NMR solution structures of hexanoyl-acp from the streptomyces coelicolor fatty acid… · SXH A101 · binds LEU11, SER31, PHE32, THR33, ASP39, SER40, MET43, VAL44 and 9 more

Residues it binds most

LEU 4, SER 4, VAL 2, ALA 4, ASP 2, LYS 2, MET 4, THR 2, GLY 2, ILE 2 (residue and the binding sites it lines).

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