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Ligand · TJV

TJV · 1,3-benzodioxole-5-carbothioamide

TJV, 1,3-benzodioxole-5-carbothioamide (C8 H7 N O2 S, 181.2 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 binds most and the ligands…

Component
TJV
Formula
C8 H7 N O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TJV in 2 structures; the first of them:

  • 5QY8 · PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C10a · TJV A2101 · binds TYR1840, PHE1844, LEU1963, TYR2002, PHE2005, SER2006, THR2009, ARG2013
  • 5QY8 · Pandda analysis group deposition -- AAR2/RNASEH in complex with fragment F2X-entry C10A · TJV A2101 · binds TYR1840, PHE1844, LEU1963, TYR2002, PHE2005, SER2006, THR2009, ARG2013

Residues it binds most

PHE 2, TYR 2, ARG 2, LEU 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PGR · R-1,2-propanediol

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