Ligand · YJI

YJI · N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide

YJI, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide (C13 H27 N2 O8 P S, 402.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…

Component: YJI
Formula: C13 H27 N2 O8 P S
Class: ligand
Structures: 2
PDB entries: 2

Binding sites

YJI in 2 structures; the first of them:

8G3I · Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state · YJI A3101 · binds HIS2513, SER2514, PHE2538
8G3J · Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound… · YJI A3101 · binds HIS2513, SER2514, PHE2538

Residues it binds most

SER 4, HIS 3, PHE 3 (residue and the binding sites it lines).

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