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- PDB-3aiy: R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, REFINED AVERAGE STRUCTURE -
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Open data
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Basic information
Entry | Database: PDB / ID: 3aiy | ||||||
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Title | R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, REFINED AVERAGE STRUCTURE | ||||||
![]() | (PROTEIN (INSULIN)) x 2 | ||||||
![]() | HORMONE/GROWTH FACTOR / HORMONE / GLUCOSE METABOLISM / HORMONE-GROWTH FACTOR COMPLEX | ||||||
Function / homology | ![]() negative regulation of NAD(P)H oxidase activity / negative regulation of glycogen catabolic process / positive regulation of nitric oxide mediated signal transduction / negative regulation of fatty acid metabolic process / negative regulation of feeding behavior / Signaling by Insulin receptor / IRS activation / Insulin processing / regulation of protein secretion / positive regulation of peptide hormone secretion ...negative regulation of NAD(P)H oxidase activity / negative regulation of glycogen catabolic process / positive regulation of nitric oxide mediated signal transduction / negative regulation of fatty acid metabolic process / negative regulation of feeding behavior / Signaling by Insulin receptor / IRS activation / Insulin processing / regulation of protein secretion / positive regulation of peptide hormone secretion / positive regulation of respiratory burst / negative regulation of acute inflammatory response / Regulation of gene expression in beta cells / alpha-beta T cell activation / regulation of cellular amino acid metabolic process / negative regulation of respiratory burst involved in inflammatory response / positive regulation of dendritic spine maintenance / positive regulation of glycogen biosynthetic process / Synthesis, secretion, and deacylation of Ghrelin / negative regulation of protein secretion / regulation of protein localization to plasma membrane / fatty acid homeostasis / Signal attenuation / negative regulation of lipid catabolic process / negative regulation of gluconeogenesis / FOXO-mediated transcription of oxidative stress, metabolic and neuronal genes / COPI-mediated anterograde transport / positive regulation of lipid biosynthetic process / negative regulation of reactive oxygen species biosynthetic process / negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway / positive regulation of insulin receptor signaling pathway / nitric oxide-cGMP-mediated signaling / transport vesicle / positive regulation of protein autophosphorylation / Insulin receptor recycling / insulin-like growth factor receptor binding / neuron projection maintenance / NPAS4 regulates expression of target genes / positive regulation of protein metabolic process / positive regulation of brown fat cell differentiation / activation of protein kinase B activity / endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of glycolytic process / positive regulation of mitotic nuclear division / Insulin receptor signalling cascade / positive regulation of nitric-oxide synthase activity / positive regulation of cytokine production / positive regulation of long-term synaptic potentiation / acute-phase response / Regulation of insulin secretion / endosome lumen / positive regulation of glucose import / positive regulation of protein secretion / negative regulation of proteolysis / positive regulation of cell differentiation / regulation of transmembrane transporter activity / insulin receptor binding / wound healing / regulation of synaptic plasticity / negative regulation of protein catabolic process / hormone activity / cognition / positive regulation of neuron projection development / positive regulation of protein localization to nucleus / Golgi lumen / vasodilation / glucose metabolic process / regulation of protein localization / insulin receptor signaling pathway / cell-cell signaling / glucose homeostasis / positive regulation of NF-kappaB transcription factor activity / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / positive regulation of cell growth / protease binding / secretory granule lumen / positive regulation of MAPK cascade / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / positive regulation of cell migration / G protein-coupled receptor signaling pathway / Amyloid fiber formation / endoplasmic reticulum lumen / Golgi membrane / negative regulation of gene expression / positive regulation of cell population proliferation / regulation of DNA-templated transcription / positive regulation of gene expression / extracellular space / extracellular region / identical protein binding Similarity search - Function | ||||||
Method | SOLUTION NMR / SYMMETRY-ADR METHOD: SIMULATED ANNEALING, WATER-SHELL REFINEMENT, AND ENERGY MINIMIZATION | ||||||
![]() | O'Donoghue, S.I. / Chang, X. / Abseher, R. / Nilges, M. / Led, J.J. | ||||||
![]() | ![]() Title: Unraveling the symmetry ambiguity in a hexamer: calculation of the R6 human insulin structure. Authors: O'Donoghue, S.I. / Chang, X. / Abseher, R. / Nilges, M. / Led, J.J. #1: ![]() Year: 1999 Title: Calculation of Symmetric Oligomer Structures from NMR Data Authors: O'Donoghue, S.I. / Nilges, M. #2: ![]() Title: Solution Structures of the R6 Human Insulin Hexamer Authors: Chang, X. / Jorgensen, A.M. / Bardrum, P. / Led, J.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Validation report
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 2383.698 Da / Num. of mol.: 6 / Fragment: ALPHA CHAIN / Source method: obtained synthetically Details: THE PROTEIN WAS CHEMICALLY SYNTHESIZED FROM THE SECRETION OF HUMAN (HOMO SAPIENS) PANCREATIC CELLS. References: UniProt: P01308 #2: Protein/peptide | Mass: 3433.953 Da / Num. of mol.: 6 / Fragment: BETA CHAIN / Source method: obtained synthetically Details: THE PROTEIN WAS CHEMICALLY SYNTHESIZED FROM THE SECRETION OF HUMAN (HOMO SAPIENS) PANCREATIC CELLS. References: UniProt: P01308 #3: Chemical | ChemComp-IPH / |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: IONIC_STRENGTH: NULL PRESSURE: NULL SOLVENT SYSTEM: H2O AND D2O |
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Sample preparation
Details | Contents: H2O AND D2O |
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Sample conditions | pH: 8 / Pressure: 1 atm / Temperature: 310 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer |
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Processing
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Refinement | Method: SYMMETRY-ADR METHOD: SIMULATED ANNEALING, WATER-SHELL REFINEMENT, AND ENERGY MINIMIZATION Software ordinal: 1 Details: REFINEMENT WAS DONE IN A SHELL OF WATER MOLECULES (J.P.LINGE,M.NILGES,1998, J.BIOMOL.NMR, IN PRESS). | ||||||||||||
NMR ensemble | Conformer selection criteria: LOWEST TOTAL ENERGY / Conformers calculated total number: 40 / Conformers submitted total number: 1 |