Specificity determinants in inositol polyphosphate synthesis: crystal structure of inositol 1,3,4-trisphosphate 5/6-kinase

Mol Cell. 2005 Apr 15;18(2):201-12. doi: 10.1016/j.molcel.2005.03.016.

Abstract

Inositol hexakisphosphate and other inositol high polyphosphates have diverse and critical roles in eukaryotic regulatory pathways. Inositol 1,3,4-trisphosphate 5/6-kinase catalyzes the rate-limiting step in inositol high polyphosphate synthesis in animals. This multifunctional enzyme also has inositol 3,4,5,6-tetrakisphosphate 1-kinase and other activities. The structure of an archetypal family member, from Entamoeba histolytica, has been determined to 1.2 A resolution in binary and ternary complexes with nucleotide, substrate, and product. The structure reveals an ATP-grasp fold. The inositol ring faces ATP edge-on such that the 5- and 6-hydroxyl groups are nearly equidistant from the ATP gamma-phosphate in catalytically productive phosphoacceptor positions and explains the unusual dual site specificity of this kinase. Inositol tris- and tetrakisphosphates interact via three phosphate binding subsites and one solvent-exposed site that could in principle be occupied by 18 different substrates, explaining the mechanisms for the multiple specificities and catalytic activities of this enzyme.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Adenosine Diphosphate / metabolism
  • Adenosine Triphosphate / metabolism
  • Amino Acid Sequence
  • Animals
  • Binding Sites
  • Crystallography, X-Ray*
  • DNA Mutational Analysis
  • Electrons
  • Entamoeba histolytica / chemistry
  • Humans
  • Inositol Phosphates / metabolism
  • Ligands
  • Magnesium / metabolism
  • Models, Molecular
  • Molecular Conformation
  • Molecular Sequence Data
  • Molecular Structure
  • Mutagenesis, Site-Directed
  • Phosphotransferases (Alcohol Group Acceptor) / biosynthesis*
  • Phosphotransferases (Alcohol Group Acceptor) / chemistry
  • Phosphotransferases (Alcohol Group Acceptor) / genetics
  • Protein Binding
  • Protein Structure, Secondary
  • Protein Structure, Tertiary
  • Sequence Homology, Amino Acid
  • Spodoptera / cytology
  • Stereoisomerism
  • Substrate Specificity

Substances

  • Inositol Phosphates
  • Ligands
  • Adenosine Diphosphate
  • Adenosine Triphosphate
  • inositol 1,3,4-trisphosphate
  • Phosphotransferases (Alcohol Group Acceptor)
  • myo-inositol-trisphosphate 6-kinase
  • Magnesium

Associated data

  • PDB/1Z2N
  • PDB/1Z2O
  • PDB/1Z2P