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Ligand · 7RD

7RD · (R,E)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5H)-one

7RD, (R,E)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5H)-one (C14 H19 N3 O2 S, 293.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
7RD
Formula
C14 H19 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

7RD in 2 structures; the first of them:

  • 4C71 · Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18 · 7RD A1423 · binds GLN171, PHE210, PHE237, PHE239, HIS276, MET277, VAL278, ALA279 and 12 more
  • 4C71 · Crystal structure of M. tuberculosis C171Q kasa in complex with TLM18 · 7RD A1423 · binds GLN171, PHE210, PHE237, PHE239, HIS276, MET277, VAL278, ALA279 and 12 more

Residues it binds most

PHE 4, GLY 4, HIS 4, THR 4, ALA 4, GLN 4, ILE 4, MET 4, PRO 4, VAL 4 (residue and the binding sites it lines).

Found with

  • M7U · (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate
  • K · Potassium ion
  • EDO · 1,2-ethanediol
  • FMT · Formic acid

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