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Ligand · 66S

66S · S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate

66S, S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate (C19 H37 N2 O8 P S, 484.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
66S
Formula
C19 H37 N2 O8 P S
Class
ligand
Structures
2
PDB entries
2

Binding sites

66S in 2 structures; the first of them:

  • 5HV8 · Solution structure of an octanoyl- loaded acyl carrier protein domain from module MLSA2… · 66S A2201 · binds ILE2094, ASP2095, SER2096, LEU2097, PHE2120
  • 7E1S · Crystal structure of DEHYDROGENASE/ISOMERASE fabx from helicobacter pylori in complex… · 66S B101 · binds VAL49, LEU101, GLY125, ALA126, GLY127, LEU128, ILE147, ILE148 and 9 more

Residues it binds most

GLY 2, LEU 3, ILE 3, SER 3, ALA 2, GLU 2, HIS 2, TYR 2, ASP 1, CYS 1 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • SF4 · Iron/sulfur cluster

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