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Yorodumi- PDB-8slu: Crystal structure of human STEP (PTPN5) at cryogenic temperature ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8slu | |||||||||
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Title | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa) | |||||||||
Components | Tyrosine-protein phosphatase non-receptor type 5 | |||||||||
Keywords | HYDROLASE / PTPN5 / STEP / Phosphatase | |||||||||
Function / homology | Function and homology information Interleukin-37 signaling / protein dephosphorylation / phosphotyrosine residue binding / protein-tyrosine-phosphatase / protein tyrosine phosphatase activity / cell junction / endoplasmic reticulum membrane / protein kinase binding / signal transduction / nucleoplasm ...Interleukin-37 signaling / protein dephosphorylation / phosphotyrosine residue binding / protein-tyrosine-phosphatase / protein tyrosine phosphatase activity / cell junction / endoplasmic reticulum membrane / protein kinase binding / signal transduction / nucleoplasm / membrane / plasma membrane / cytosol Similarity search - Function | |||||||||
Biological species | Homo sapiens (human) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.84 Å | |||||||||
Authors | Ebrahim, A. / Guerrero, L. / Riley, B.T. / Kim, M. / Huang, Q. / Finke, A.D. / Keedy, D.A. | |||||||||
Funding support | United States, 1items
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Citation | Journal: Biorxiv / Year: 2023 Title: Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase. Authors: Guerrero, L. / Ebrahim, A. / Riley, B.T. / Kim, M. / Huang, Q. / Finke, A.D. / Keedy, D.A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8slu.cif.gz | 156.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8slu.ent.gz | 99.4 KB | Display | PDB format |
PDBx/mmJSON format | 8slu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8slu_validation.pdf.gz | 451.6 KB | Display | wwPDB validaton report |
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Full document | 8slu_full_validation.pdf.gz | 456.1 KB | Display | |
Data in XML | 8slu_validation.xml.gz | 13.6 KB | Display | |
Data in CIF | 8slu_validation.cif.gz | 18.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sl/8slu ftp://data.pdbj.org/pub/pdb/validation_reports/sl/8slu | HTTPS FTP |
-Related structure data
Related structure data | 8slsC 8sltC C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 32517.986 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: PTPN5 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): Rosetta 2 / References: UniProt: P54829, protein-tyrosine-phosphatase | ||||||
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#2: Chemical | #3: Chemical | ChemComp-GOL / | #4: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.56 Å3/Da / Density % sol: 52.01 % / Description: Rectangular |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 5.65 Details: 30% PEG 3350, 200 mM Li2SO4, 100 mM bis-tris pH 5.65 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: CHESS / Beamline: 7B2 / Wavelength: 1.033 Å |
Detector | Type: DECTRIS EIGER2 S 16M / Detector: PIXEL / Date: Oct 30, 2020 |
Radiation | Monochromator: Dual bounce W/B4C multilayer monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.033 Å / Relative weight: 1 |
Reflection | Resolution: 1.84→57.37 Å / Num. obs: 29880 / % possible obs: 99.46 % / Redundancy: 6.6 % / Biso Wilson estimate: 32.76 Å2 / CC1/2: 0.998 / CC star: 0.999 / Rmerge(I) obs: 0.1138 / Rpim(I) all: 0.04787 / Rrim(I) all: 0.1237 / Net I/σ(I): 10.71 |
Reflection shell | Resolution: 1.84→1.906 Å / Redundancy: 6.6 % / Rmerge(I) obs: 2.127 / Mean I/σ(I) obs: 0.64 / Num. unique obs: 2949 / CC1/2: 0.687 / CC star: 0.903 / Rpim(I) all: 0.8879 / Rrim(I) all: 2.308 / % possible all: 99.12 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.84→57.37 Å / SU ML: 0.281 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.6952 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 41.64 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.84→57.37 Å
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Refine LS restraints |
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LS refinement shell |
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