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Ligand · 6E3

6E3 · 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

6E3, 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (C10 H12 N2 O2, 192.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
6E3
Formula
C10 H12 N2 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

6E3 in 3 structures; the first of them:

  • 5IUX · GLIC-V135C bimane labelled X-ray structure · 6E3 A507 · binds VAL5, SER6, PRO7, TRP72, GLU75, CYS135, THR65, VAL90 and 1 more
  • 6O9T · KirBac3.1 mutant at a resolution of 4.1 Angstroms · 6E3 A403 · binds TYR132, PHE135, CYS136, PHE250, GLN252
  • 6O9T · KIRBAC3.1 mutant at a resolution of 4.1 ångströms · 6E3 A403 · binds TYR132, PHE135, CYS136, PHE250, GLN252

Residues it binds most

CYS 4, PHE 2, VAL 2, ASP 2, GLN 2, GLU 2, PRO 2, THR 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine
  • NA · Sodium ion
  • BR · Bromide ion
  • ACT · Acetate ion
  • LMT · Dodecyl-beta-D-maltoside

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