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Ligand · 5TI

5TI · 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

5TI, 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione (C14 H12 N2 O4, 272.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
5TI
Formula
C14 H12 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

5TI in 2 structures; the first of them:

  • 7V6K · Crystal structure of Sortase A from Streptococcus pyogenes in complex with ML346 · 5TI A301 · binds LEU113, LEU118, MET125, ALA140, SER141, HIS142, HIS143, PHE145 and 8 more
  • 7V6K · Crystal structure of sortase a from streptococcus pyogenes in complex with ML346 · 5TI A301 · binds LEU113, LEU118, HIS142, HIS143, THR207, CYS208, ILE211, ALA213 and 2 more

Residues it binds most

HIS 4, ALA 4, ILE 4, THR 4, ARG 4, CYS 4, LEU 2, SER 3, PHE 3, VAL 3 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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