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Ligand · 9UM

9UM · 3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

9UM, 3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione (C10 H11 Br N2 O2, 271.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
9UM
Formula
C10 H11 Br N2 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

9UM in 2 structures; the first of them:

  • 5W30 · Crystal structure of mutant cj ycei protein (cj-N48C) with monobromobimane guest structure · 9UM A304 · binds LYS46, GLY47, CYS48, ASN78, GLU80
  • 5W39 · Crystal structure of mutant cj ycei protein (cj-N182C) with monobromobimane guest… · 9UM A304 · binds GLU137, SER154, ASN156, CYS182, GLU184

Residues it binds most

GLU 2, ASN 2, CYS 2, GLY 1, LYS 1, SER 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • LFA · Eicosane
  • UNL · Unknown ligand

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