Crystal structure of human arginase I complexed with thiosemicarbazide reveals an unusual thiocarbonyl mu-sulfide ligand in the binuclear manganese cluster

J Am Chem Soc. 2007 May 23;129(20):6388-9. doi: 10.1021/ja071567j. Epub 2007 May 1.

Abstract

The crystal structure of the human arginase I-thiosemicarbazide complex reveals an unusual thiocarbonyl μ-sulfide ligand in the binuclear manganese cluster. The C=S moiety of thiosemicarbazide bridges Mn2+A and Mn2+B with coordination distances of 2.6 Å and 2.4 Å, respectively. Otherwise, the binding of thiosemicarbazide to human arginase I does not cause any significant structural changes in the active site. The crystal structure of the unliganded enzyme reveals a hydrogen bonded water molecule that could support proton transfer between a μ-water molecule and H141 to regenerate the nucleophilic μ-hydroxide ion in the final step of catalysis.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Arginase / chemistry*
  • Arginase / metabolism*
  • Crystallography, X-Ray
  • Humans
  • Ligands
  • Manganese / chemistry*
  • Manganese / metabolism*
  • Models, Molecular
  • Protein Structure, Tertiary
  • Semicarbazides / chemistry*
  • Semicarbazides / metabolism

Substances

  • Ligands
  • Semicarbazides
  • Manganese
  • thiosemicarbazide
  • Arginase