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Ligand · 6SR

6SR · 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one

6SR, 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one (C21 H20 N2 O4, 364.4 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…

Component
6SR
Formula
C21 H20 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

6SR in 2 structures; the first of them:

  • 5KGS · Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium… · 6SR A502 · binds PRO24, TYR25, TRP64, GLY156, TYR157, CYS168, ASP169, GLY172 and 10 more
  • 5KGS · Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium… · 6SR A502 · binds PRO24, TYR25, TRP64, GLY156, TYR157, CYS168, ASP169, GLY172 and 10 more

Residues it binds most

GLY 4, PHE 4, PRO 4, TYR 4, ALA 4, ASP 4, CYS 4, MET 4, THR 4, TRP 4 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • PGE · Triethylene glycol

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