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Ligand · PX5

PX5 · 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one

PX5, 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one (C13 H9 N O2 S, 243.3 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 it…

Component
PX5
Formula
C13 H9 N O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

PX5 in 2 structures; the first of them:

  • 3O6T · Mycobacterium tuberculosis thioredoxin C C40S mutant in Complex with Quinol Inhibitor… · PX5 A117 · binds TRP36, CYS37, GLY38, PRO39, ILE80, PRO81, THR35, TRP36 and 2 more
  • 3O6T · Mycobacterium tuberculosis thioredoxin C C40S mutant in complex with quinol inhibitor… · PX5 A117 · binds TRP36, CYS37, GLY38, PRO39, ILE80, PRO81, THR35, TRP36 and 2 more

Residues it binds most

PRO 4, THR 4, TRP 4, ASP 4, CYS 4, GLY 4, ILE 4, SER 2 (residue and the binding sites it lines).

Found with

  • PGE · Triethylene glycol

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