6fjk

Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP

spinqualitylabelsall models 6fjk, resolution 2.02Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6fjk is a 2 chain structure with sequence from Arath. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: ADP, IHP, MG, TRS, ZN Gene: AXX17_At5g40720 (ARATH), IPK1 At5g42810 (ARATH) Activity: Inositol-pentakisphosphate 2-kinase, with EC number 2.7.1.158 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [A0A178UAB5_ARATH] Phosphorylates Ins(1,3,4,5,6)P5 at position 2 to form Ins(1,2,3,4,5,6)P6 (InsP6 or phytate).[RuleBase:RU364126] Publication Abstract from PubMed Inositol pentakisphosphate 2-kinase catalyzes the phosphorylation of the axial 2-OH of myo-inositol 1,3,4,5,6-pentakisphosphate for de novo synthesis of myo-inositol hexakisphosphate. Disruption of inositol pentakisphosphate 2-kinase profoundly influences cellular processes; from nuclear mRNA export and phosphate homeostasis in yeast and plants, to establishment of left-right asymmetry in zebra fish. We elaborate an active site fluorescent probe that allows high throughput screening of Arabidopsis inositol pentakisphosphate 2-kinase. We show that the probe has a binding constant comparable to the Km values of inositol phosphate substrates of this enzyme, and can be used to prospect for novel substrates and inhibitors of inositol phosphate kinases. We identify several micromolar Ki inhibitors and validate this approach by solving the crystal structure of protein in complex with purpurogallin. We additionally solve structures of protein in complexes with epimeric higher inositol phosphates. This probe may find utility in characterization of a wide family of inositol phosphate kinases. A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.,Whitfield H, Gilmartin M, Baker K, Riley AM, Godage HY, Potter BVL, Hemmings AM, Brearley CA J Med Chem. 2018 Aug 30. doi: 10.1021/acs.jmedchem.8b01022. PMID:30160967 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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