4ixc Summary details

pdbe.org/4ixc/summary_details
spacer Crystal structure of Human Glucokinase in complex with a small molecule activator.
Summary
Header TRANSFERASE/TRANSFERASE INHIBITORsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 2.0 Å, R-factor: 18.958%, Free R-factor: 24.91%, Spacegroup: P 41
Released 24/04/2013, deposition: 25/01/2013, last revision: 24/04/2013
Authors Ogg, D.J.search; Hargreaves, D.search; Gerhardt, S.search
Primary citation Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
Keywords Allosteric Regulationsearch, Binding Sitessearch, Catalytic Domainsearch, Diabetes Mellitussearch, Type 2search, Enzyme Activatorssearch, Glucokinasesearch, Hexokinasesearch, Humanssearch, Modelssearch, Molecularsearch, Mutationsearch, Protein Conformationsearch, TRANSFERASE-TRANSFERASE INHIBITOR complexsearch
EC 2.7.1.2 ExPASy BRENDA search (A)
Organism Homo sapiens(human) 9606search(A)
UniProt P35557search (A)
Solvent A
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A Glucokinase isoform 3 Protein P35557 (HXK4_HUMAN)search
456 97%
Heterogens
Chain Id Name Ligands
A SODIUM ION NA search
A SUGAR (ALPHA-D-GLUCOSE) GLC search
A (2S)-2-{[1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]OXY}-N-(5-METHYLPYRIDIN-2-YL)-3-(PROPAN-2-YLOXY)PROPANAMIDE 1JD search
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