|Entry||Database: PDB / ID: 1rwe|
|Title||Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues|
|Keywords||HORMONE/GROWTH FACTOR / A8-Histidine human insulin / insulin receptor / HORMONE-GROWTH FACTOR COMPLEX|
|Function / homology|
Function and homology information
Signaling by Insulin receptor / negative regulation of glycogen catabolic process / regulation of cellular amino acid metabolic process / IRS activation / negative regulation of NAD(P)H oxidase activity / Insulin processing / Insulin receptor recycling / nitric oxide-cGMP-mediated signaling pathway / negative regulation of fatty acid metabolic process / negative regulation of feeding behavior ...Signaling by Insulin receptor / negative regulation of glycogen catabolic process / regulation of cellular amino acid metabolic process / IRS activation / negative regulation of NAD(P)H oxidase activity / Insulin processing / Insulin receptor recycling / nitric oxide-cGMP-mediated signaling pathway / negative regulation of fatty acid metabolic process / negative regulation of feeding behavior / regulation of protein secretion / Regulation of gene expression in beta cells / positive regulation of peptide hormone secretion / positive regulation of respiratory burst / negative regulation of respiratory burst involved in inflammatory response / alpha-beta T cell activation / negative regulation of gluconeogenesis / negative regulation of acute inflammatory response / Synthesis, secretion, and deacylation of Ghrelin / positive regulation of dendritic spine maintenance / negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway / positive regulation of glycogen biosynthetic process / negative regulation of reactive oxygen species biosynthetic process / regulation of protein localization to plasma membrane / COPI-mediated anterograde transport / negative regulation of protein secretion / positive regulation of nitric oxide mediated signal transduction / FOXO-mediated transcription of oxidative stress, metabolic and neuronal genes / positive regulation of lipid biosynthetic process / Signal attenuation / negative regulation of lipid catabolic process / fatty acid homeostasis / endosome lumen / positive regulation of insulin receptor signaling pathway / Regulation of insulin secretion / endoplasmic reticulum-Golgi intermediate compartment membrane / transport vesicle / positive regulation of protein autophosphorylation / insulin-like growth factor receptor binding / neuron projection maintenance / positive regulation of protein metabolic process / positive regulation of glycolytic process / Insulin receptor signalling cascade / positive regulation of brown fat cell differentiation / positive regulation of mitotic nuclear division / positive regulation of long-term synaptic potentiation / regulation of transmembrane transporter activity / positive regulation of cell differentiation / regulation of synaptic plasticity / activation of protein kinase B activity / cognition / positive regulation of cytokine production / positive regulation of protein secretion / acute-phase response / positive regulation of glucose import / negative regulation of proteolysis / positive regulation of nitric-oxide synthase activity / hormone activity / insulin receptor binding / vasodilation / insulin receptor signaling pathway / negative regulation of protein catabolic process / positive regulation of protein localization to nucleus / wound healing / Golgi lumen / regulation of protein localization / glucose metabolic process / glucose homeostasis / cell-cell signaling / positive regulation of phosphatidylinositol 3-kinase signaling / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / positive regulation of cell growth / secretory granule lumen / positive regulation of NF-kappaB transcription factor activity / positive regulation of protein kinase B signaling / positive regulation of MAPK cascade / protease binding / G protein-coupled receptor signaling pathway / positive regulation of cell migration / Amyloid fiber formation / Golgi membrane / negative regulation of gene expression / endoplasmic reticulum lumen / positive regulation of cell population proliferation / positive regulation of gene expression / regulation of DNA-templated transcription / extracellular space / extracellular region / identical protein binding
Similarity search - Function
Insulin / Insulin family / Insulin/IGF/Relaxin family / Insulin-like / Insulin / insulin-like growth factor / relaxin family. / Insulin family signature. / Insulin, conserved site / Insulin-like superfamily
Similarity search - Domain/homology
PHENOL / Insulin
Similarity search - Component
|Method||X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å|
|Authors||Wan, Z. / Xu, B. / Chu, Y.C. / Li, B. / Nakagawa, S.H. / Qu, Y. / Hu, S.Q. / Katsoyannis, P.G. / Weiss, M.A.|
Journal: Biochemistry / Year: 2004
Title: Enhancing the activity of insulin at the receptor interface: crystal structure and photo-cross-linking of A8 analogues.
Authors: Wan, Z. / Xu, B. / Huang, K. / Chu, Y.C. / Li, B. / Nakagawa, S.H. / Qu, Y. / Hu, S.Q. / Katsoyannis, P.G. / Weiss, M.A.
#1: Journal: Biochemistry / Year: 1995
Title: X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents,thiocyanate, methylparahben, and phenol
Authors: Whittingham, J.L. / Chaudhuri, S. / Dodson, E.J. / Moody, P.C. / Dodson, G.G.
#2: Journal: Structure / Year: 1995
Title: Role of c-terminal B-chain residues in insulin assemble: the structure of hexameric LysB28ProB29-human insulin
Authors: Ciszak, E. / Beals, J.M. / Frank, B.H. / Baker, J.C. / Carter, D.C. / Smith, G.D.
#3: Journal: Acta Crystallogr.,Sect.D / Year: 2001
Title: Phase changes in T3R3f human insulin: temperature or pressure insulin
Authors: Smith, G.D. / Blessing, R.H.
#4: Journal: J.Mol.Biol. / Year: 2002
Title: Non-standard insulin design:structure-activity relationship at the periphery of the insulin receptor
Authors: Weiss, M.A. / Wan, Z.L. / Zhao, M. / Chu, Y.C. / Nakagawa, S.H. / Burke, G.T. / Jia, W.H. / Hellmich, R. / Katsoyannis, P.G.
|Structure viewer||Molecule: |
Downloads & links
|Components on special symmetry positions|
|Details||The biological assembly is hexamer generated from the dimer in the asymmetric unit by the operations: -y,x-y,z and -x+y,-x,z The crystallographic asymmetric unit of insulin consists of two insulin monomers each consisting of two heterochains The entry present coordinates for monomer 1 (chain indicators A and B) and monomer2 (chain indicators C and D) There are two zinc ions per insulin hexamer located on the three-fold axis The conformations of two monomers are different as the result of B change in conformation of first eight residues of the B-chain|
-Protein/peptide , 2 types, 4 molecules A
C B D
Mass: 2420.741 Da / Num. of mol.: 2 / Fragment: insulin A chain / Mutation: T8H / Source method: obtained synthetically / Keywords: T8H / References: UniProt: P01308
Mass: 3433.953 Da / Num. of mol.: 2 / Fragment: insulin B chain / Source method: obtained synthetically / References: UniProt: P01308
-Non-polymers , 4 types, 141 molecules
|#3: Chemical||#4: Chemical||#5: Chemical|| ChemComp-IPH / ||#6: Water|| ChemComp-HOH / |
|Experiment||Method: X-RAY DIFFRACTION / Number of used crystals: 1|
|Crystal||Density Matthews: 1.8 Å3/Da / Density % sol: 31.49 %|
|Crystal grow||Temperature: 298 K / pH: 6.8 |
Details: Tris, sodium citrate, acetone, phenol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.80
|Diffraction||Mean temperature: 100 K|
|Diffraction source||Source: SYNCHROTRON / Site: APS / Beamline: 14-BM-D / Wavelength: 0.978|
|Detector||Type: ADSC / Detector: CCD / Date: Aug 19, 1998|
|Radiation||Monochromator: SILICON / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray|
|Radiation wavelength||Wavelength: 0.978 Å / Relative weight: 1|
|Reflection||Resolution: 1.8→19.18 Å / Num. obs: 7426 / % possible obs: 98.4 % / Observed criterion σ(I): 0 / Redundancy: 4.3 % / Biso Wilson estimate: 16.8 Å2 / Rmerge(I) obs: 0.048 / Net I/σ(I): 23.52|
|Reflection shell||Resolution: 1.8→1.91 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.224 / Mean I/σ(I) obs: 9.2 / % possible all: 95.4|
|Refinement||Method to determine structure: MOLECULAR REPLACEMENT|
Starting model: PDB ENTRIES 1TRZ AND 1MPJ
Resolution: 1.8→19.18 Å / Rfactor Rfree error: 0.009 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / Stereochemistry target values: ENGH & HUBER
|Solvent computation||Solvent model: FLAT MODEL / Bsol: 49.1019 Å2 / ksol: 0.336481 e/Å3|
|Displacement parameters||Biso mean: 24 Å2|
|Refinement step||Cycle: LAST / Resolution: 1.8→19.18 Å|
|Refine LS restraints|
|LS refinement shell||Resolution: 1.8→1.91 Å / Rfactor Rfree error: 0.022 / Total num. of bins used: 6 |
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