[English] 日本語
![](img/lk-miru.gif)
- PDB-2cm8: Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 2cm8 | ||||||
---|---|---|---|---|---|---|---|
Title | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | ||||||
![]() | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | ||||||
![]() | HYDROLASE / PHOSPHATASE / ACETYLATION / OXIDATION / PROTEIN PHOSPHATASE / ENDOPLASMIC RETICULUM / POLYMORPHISM | ||||||
Function / homology | ![]() regulation of hepatocyte growth factor receptor signaling pathway / PTK6 Down-Regulation / positive regulation of receptor catabolic process / insulin receptor recycling / peptidyl-tyrosine dephosphorylation involved in inactivation of protein kinase activity / negative regulation of vascular endothelial growth factor receptor signaling pathway / negative regulation of PERK-mediated unfolded protein response / regulation of intracellular protein transport / IRE1-mediated unfolded protein response / cytoplasmic side of endoplasmic reticulum membrane ...regulation of hepatocyte growth factor receptor signaling pathway / PTK6 Down-Regulation / positive regulation of receptor catabolic process / insulin receptor recycling / peptidyl-tyrosine dephosphorylation involved in inactivation of protein kinase activity / negative regulation of vascular endothelial growth factor receptor signaling pathway / negative regulation of PERK-mediated unfolded protein response / regulation of intracellular protein transport / IRE1-mediated unfolded protein response / cytoplasmic side of endoplasmic reticulum membrane / platelet-derived growth factor receptor-beta signaling pathway / sorting endosome / mitochondrial crista / positive regulation of IRE1-mediated unfolded protein response / regulation of type I interferon-mediated signaling pathway / regulation of endocytosis / non-membrane spanning protein tyrosine phosphatase activity / positive regulation of protein tyrosine kinase activity / peptidyl-tyrosine dephosphorylation / Regulation of IFNA/IFNB signaling / regulation of signal transduction / cellular response to unfolded protein / growth hormone receptor signaling pathway via JAK-STAT / negative regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway / negative regulation of signal transduction / Regulation of IFNG signaling / MECP2 regulates neuronal receptors and channels / Growth hormone receptor signaling / endoplasmic reticulum unfolded protein response / positive regulation of JUN kinase activity / negative regulation of insulin receptor signaling pathway / Insulin receptor recycling / ephrin receptor binding / Integrin signaling / protein dephosphorylation / protein-tyrosine-phosphatase / negative regulation of MAP kinase activity / protein phosphatase 2A binding / protein tyrosine phosphatase activity / endosome lumen / insulin receptor binding / Negative regulation of MET activity / negative regulation of ERK1 and ERK2 cascade / receptor tyrosine kinase binding / insulin receptor signaling pathway / actin cytoskeleton organization / early endosome / mitochondrial matrix / cadherin binding / protein kinase binding / enzyme binding / endoplasmic reticulum / protein-containing complex / RNA binding / zinc ion binding / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Ala, P.J. / Gonneville, L. / Hillman, M.C. / Becker-Pasha, M. / Wei, M. / Reid, B.G. / Klabe, R. / Yue, E.W. / Wayland, B. / Douty, B. ...Ala, P.J. / Gonneville, L. / Hillman, M.C. / Becker-Pasha, M. / Wei, M. / Reid, B.G. / Klabe, R. / Yue, E.W. / Wayland, B. / Douty, B. / Combs, A.P. / Polam, P. / Wasserman, Z. / Bower, M. / Burn, T.C. / Hollis, G.F. / Wynn, R. | ||||||
![]() | ![]() Title: Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics. Authors: Ala, P.J. / Gonneville, L. / Hillman, M.C. / Becker-Pasha, M. / Wei, M. / Reid, B.G. / Klabe, R. / Yue, E.W. / Wayland, B. / Douty, B. / Polam, P. / Wasserman, Z. / Bower, M. / Combs, A.P. / ...Authors: Ala, P.J. / Gonneville, L. / Hillman, M.C. / Becker-Pasha, M. / Wei, M. / Reid, B.G. / Klabe, R. / Yue, E.W. / Wayland, B. / Douty, B. / Polam, P. / Wasserman, Z. / Bower, M. / Combs, A.P. / Burn, T.C. / Hollis, G.F. / Wynn, R. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 79.2 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 60.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Related structure data | ![]() 2cm2C ![]() 2cm3C ![]() 2cm7C ![]() 2cmaC ![]() 2cmbC ![]() 2cmcC C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 37365.637 Da / Num. of mol.: 1 / Fragment: CATALYTIC DOMAIN, RESIDUES 1-321 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
---|---|
#2: Chemical | ChemComp-F16 / |
#3: Chemical | ChemComp-MG / |
#4: Water | ChemComp-HOH / |
Compound details | RESPONSIBLE FOR INITIATING SIGNAL TRANSDUCTION CASCADES SIMILAR TO THOSE INDUCED BY CKII- AND P60- ...RESPONSIBL |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 3.14 Å3/Da / Density % sol: 60.79 % |
---|---|
Crystal grow | pH: 6.6 Details: 100 MM HEPES PH 6.6, 14-16% PEG 8000, 200 MM MAGNESIUM ACETATE |
-Data collection
Diffraction | Mean temperature: 93 K |
---|---|
Diffraction source | Source: ![]() |
Detector | Type: RIGAKU-MSC RAXIS-IV / Detector: IMAGE PLATE / Details: BLUE CONFOCAL MAX-FLUX MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2→31.6 Å / Num. obs: 31292 / % possible obs: 99.6 % / Observed criterion σ(I): 0 / Redundancy: 10.6 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 32.5 |
Reflection shell | Resolution: 2→2.14 Å / Redundancy: 10.5 % / Rmerge(I) obs: 0.2 / Mean I/σ(I) obs: 9.4 / % possible all: 98.9 |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: OTHER / Resolution: 2.1→8 Å / Cross valid method: THROUGHOUT / σ(F): 2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Bsol: 280 Å2 / ksol: 0.8 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.1→8 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|