+Open data
-Basic information
Entry | Database: PDB / ID: 5v4w | ||||||
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Title | Human glucokinase in complex with novel indazole activator. | ||||||
Components | Glucokinase | ||||||
Keywords | transferase/transferase activator / activator / complex / allosteric / transferase-transferase activator complex | ||||||
Function / homology | Function and homology information Defective GCK causes maturity-onset diabetes of the young 2 (MODY2) / mannokinase activity / glucose sensor activity / regulation of potassium ion transport / hexokinase / fructokinase activity / carbohydrate phosphorylation / glucokinase activity / glucose catabolic process / glucose 6-phosphate metabolic process ...Defective GCK causes maturity-onset diabetes of the young 2 (MODY2) / mannokinase activity / glucose sensor activity / regulation of potassium ion transport / hexokinase / fructokinase activity / carbohydrate phosphorylation / glucokinase activity / glucose catabolic process / glucose 6-phosphate metabolic process / Regulation of Glucokinase by Glucokinase Regulatory Protein / Defective TPR may confer susceptibility towards thyroid papillary carcinoma (TPC) / NADP metabolic process / glucose binding / cellular response to leptin stimulus / calcium ion import / canonical glycolysis / Glycolysis / regulation of glycolytic process / intracellular glucose homeostasis / Regulation of gene expression in beta cells / regulation of insulin secretion / positive regulation of glycogen biosynthetic process / FOXO-mediated transcription of oxidative stress, metabolic and neuronal genes / negative regulation of gluconeogenesis / response to glucose / glycolytic process / positive regulation of insulin secretion / cellular response to insulin stimulus / glucose metabolic process / glucose homeostasis / mitochondrion / nucleoplasm / ATP binding / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.39 Å | ||||||
Authors | Skene, R.J. / Hosfield, D.J. | ||||||
Citation | Journal: Bioorg. Med. Chem. Lett. / Year: 2017 Title: Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators. Authors: Cheruvallath, Z.S. / Gwaltney, S.L. / Sabat, M. / Tang, M. / Wang, H. / Jennings, A. / Hosfield, D. / Lee, B. / Wu, Y. / Halkowycz, P. / Grimshaw, C.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5v4w.cif.gz | 102.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5v4w.ent.gz | 76 KB | Display | PDB format |
PDBx/mmJSON format | 5v4w.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/v4/5v4w ftp://data.pdbj.org/pub/pdb/validation_reports/v4/5v4w | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 51375.328 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: GCK / Production host: Escherichia coli (E. coli) / References: UniProt: P35557, glucokinase |
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#2: Sugar | ChemComp-GLC / |
#3: Chemical | ChemComp-8WM / ( |
#4: Chemical | ChemComp-IOD / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.42 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 15% PEG3350, 200 mM ammonium iodide, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 5.0.1 / Wavelength: 1.594 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Apr 28, 2008 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.594 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→65.94 Å / Num. obs: 19113 / % possible obs: 99.1 % / Redundancy: 5.8 % / Rmerge(I) obs: 0.13 / Net I/σ(I): 9.1 |
Reflection shell | Resolution: 2.4→2.46 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.458 / % possible all: 89.6 |
-Processing
Software |
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Refinement | Resolution: 2.39→65.94 Å / SU B: 16.293 / SU ML: 0.206 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.47 / ESU R Free: 0.284
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Displacement parameters | Biso mean: 30.88 Å2
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Refinement step | Cycle: LAST / Resolution: 2.39→65.94 Å
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