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Yorodumi- PDB-1i8h: SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH HUMAN TAU PHO... -
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-Basic information
Entry | Database: PDB / ID: 1i8h | ||||||
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Title | SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH HUMAN TAU PHOSPHOTHREONINE PEPTIDE | ||||||
Components |
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Keywords | MEMBRANE PROTEIN/ISOMERASE / CYTOSKELETON / NUCLEAR PROTEIN / MEMBRANE PROTEIN-ISOMERASE COMPLEX | ||||||
Function / homology | Function and homology information cis-trans isomerase activity / phosphothreonine residue binding / negative regulation of cell motility / ubiquitin ligase activator activity / regulation of protein localization to nucleus / GTPase activating protein binding / plus-end-directed organelle transport along microtubule / axonal transport / histone-dependent DNA binding / neurofibrillary tangle assembly ...cis-trans isomerase activity / phosphothreonine residue binding / negative regulation of cell motility / ubiquitin ligase activator activity / regulation of protein localization to nucleus / GTPase activating protein binding / plus-end-directed organelle transport along microtubule / axonal transport / histone-dependent DNA binding / neurofibrillary tangle assembly / positive regulation of diacylglycerol kinase activity / negative regulation of establishment of protein localization to mitochondrion / neurofibrillary tangle / positive regulation of protein localization to synapse / postsynaptic cytosol / microtubule lateral binding / mitogen-activated protein kinase kinase binding / tubulin complex / phosphatidylinositol bisphosphate binding / main axon / regulation of long-term synaptic depression / negative regulation of kinase activity / negative regulation of tubulin deacetylation / regulation of mitotic nuclear division / generation of neurons / regulation of chromosome organization / positive regulation of protein localization / rRNA metabolic process / internal protein amino acid acetylation / regulation of mitochondrial fission / intracellular distribution of mitochondria / axonal transport of mitochondrion / negative regulation of SMAD protein signal transduction / axon development / central nervous system neuron development / regulation of microtubule polymerization / microtubule polymerization / PI5P Regulates TP53 Acetylation / minor groove of adenine-thymine-rich DNA binding / lipoprotein particle binding / negative regulation of amyloid-beta formation / dynactin binding / glial cell projection / negative regulation of mitochondrial membrane potential / apolipoprotein binding / cytoskeletal motor activity / protein polymerization / negative regulation of mitochondrial fission / axolemma / RHO GTPases Activate NADPH Oxidases / phosphoserine residue binding / Caspase-mediated cleavage of cytoskeletal proteins / regulation of microtubule polymerization or depolymerization / positive regulation of axon extension / protein peptidyl-prolyl isomerization / supramolecular fiber organization / Activation of AMPK downstream of NMDARs / regulation of microtubule cytoskeleton organization / cytoplasmic microtubule organization / stress granule assembly / regulation of cellular response to heat / axon cytoplasm / regulation of calcium-mediated signaling / positive regulation of protein dephosphorylation / positive regulation of microtubule polymerization / cellular response to brain-derived neurotrophic factor stimulus / somatodendritic compartment / synapse assembly / phosphatidylinositol binding / nuclear periphery / cellular response to nerve growth factor stimulus / positive regulation of superoxide anion generation / ciliary basal body / protein phosphatase 2A binding / negative regulation of protein binding / regulation of cytokinesis / peptidylprolyl isomerase / regulation of autophagy / peptidyl-prolyl cis-trans isomerase activity / astrocyte activation / Negative regulators of DDX58/IFIH1 signaling / synapse organization / phosphoprotein binding / response to lead ion / microglial cell activation / negative regulation of transforming growth factor beta receptor signaling pathway / regulation of protein phosphorylation / regulation of synaptic plasticity / Hsp90 protein binding / regulation of protein stability / PKR-mediated signaling / tau protein binding / protein homooligomerization / negative regulation of ERK1 and ERK2 cascade / negative regulation of protein catabolic process / cytoplasmic ribonucleoprotein granule / memory / neuron differentiation / microtubule cytoskeleton organization / ISG15 antiviral mechanism Similarity search - Function | ||||||
Method | SOLUTION NMR / distance geometry simulated annealing | ||||||
Authors | Wintjens, R. / Wieruszeski, J.-M. / Drobecq, H. / Lippens, G. / Landrieu, I. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2001 Title: 1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides. Authors: Wintjens, R. / Wieruszeski, J.M. / Drobecq, H. / Rousselot-Pailley, P. / Buee, L. / Lippens, G. / Landrieu, I. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1i8h.cif.gz | 168.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1i8h.ent.gz | 145.7 KB | Display | PDB format |
PDBx/mmJSON format | 1i8h.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/i8/1i8h ftp://data.pdbj.org/pub/pdb/validation_reports/i8/1i8h | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1464.623 Da / Num. of mol.: 1 / Fragment: (RESIDUES 541-553) / Source method: obtained synthetically Details: The ligand phosphopeptide was synthesized from Rink amide resin using Fmoc strategy and activation by HBTU and HOBT in a 431A peptide synthesizer. The sequence of the peptide is naturally ...Details: The ligand phosphopeptide was synthesized from Rink amide resin using Fmoc strategy and activation by HBTU and HOBT in a 431A peptide synthesizer. The sequence of the peptide is naturally found in Homo sapiens (Human). References: UniProt: P10636 |
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#2: Protein/peptide | Mass: 4462.899 Da / Num. of mol.: 1 / Fragment: WW DOMAIN (RESIDUES 6-44) / Source method: obtained synthetically Details: The Pin1 WW domain was obtained by peptide synthesis using the BOC-benzyl strategy and the HBTU in situ activation protocol on an Applied 430A peptide synthesizer. The sequence of the ...Details: The Pin1 WW domain was obtained by peptide synthesis using the BOC-benzyl strategy and the HBTU in situ activation protocol on an Applied 430A peptide synthesizer. The sequence of the peptide is naturally found in Homo sapiens (Human). References: UniProt: Q13526, peptidylprolyl isomerase |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D NOESY |
-Sample preparation
Details | Contents: sample of 1mM Pin1 WW domain / 11mM tau ligand buffer of 50 mM deutered Tris-D2O, pH 6.4, 100 mM NaCl Solvent system: 90% H2O/10% D2O |
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Sample conditions | Ionic strength: 100 mM NaCl / pH: 6.4 / Pressure: ambient / Temperature: 285 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: distance geometry simulated annealing / Software ordinal: 1 Details: hybrid of distance geometry / simulated annealing protocol Minimization procedure using CVFF as force field | ||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 10 |