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Ligand · 1R3

1R3 · N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

1R3, N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide (C21 H45 N2 O9 P S, 532.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1R3
Formula
C21 H45 N2 O9 P S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1R3 in 2 structures; the first of them:

  • 4KEH · Crosslinked Crystal Structure of Type II Fatty Synthase Dehydratase, FabA, and Acyl… · 1R3 A201 · binds HIS70, PHE71, VAL76, MET77, PRO78, GLY79, PHE113, THR114 and 23 more
  • 4KEH · Crosslinked crystal structure of type II fatty synthase dehydratase, faba, and acyl… · 1R3 A201 · binds HIS70, PHE71, VAL76, MET77, PRO78, GLY79, PHE113, THR114 and 23 more

Residues it binds most

GLY 4, PHE 4, GLN 4, LEU 4, ASP 4, PRO 4, VAL 4, ARG 4, ALA 4, HIS 4 (residue and the binding sites it lines).

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