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Yorodumi- PDB-1snu: CRYSTAL STRUCTURE OF THE UNPHOSPHORYLATED INTERLEUKIN-2 TYROSINE ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1snu | ||||||
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Title | CRYSTAL STRUCTURE OF THE UNPHOSPHORYLATED INTERLEUKIN-2 TYROSINE KINASE CATALYTIC DOMAIN | ||||||
Components | Tyrosine-protein kinase ITK/TSK | ||||||
Keywords | TRANSFERASE / PROTEIN KINASE / IMMUNOLOGY | ||||||
Function / homology | Function and homology information gamma-delta T cell activation / NK T cell differentiation / activation of phospholipase C activity / Generation of second messenger molecules / cellular defense response / T cell activation / FCERI mediated Ca+2 mobilization / positive regulation of cytokine production / B cell receptor signaling pathway / non-specific protein-tyrosine kinase ...gamma-delta T cell activation / NK T cell differentiation / activation of phospholipase C activity / Generation of second messenger molecules / cellular defense response / T cell activation / FCERI mediated Ca+2 mobilization / positive regulation of cytokine production / B cell receptor signaling pathway / non-specific protein-tyrosine kinase / non-membrane spanning protein tyrosine kinase activity / cell-cell junction / T cell receptor signaling pathway / adaptive immune response / intracellular signal transduction / phosphorylation / signal transduction / ATP binding / metal ion binding / nucleus / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Brown, K. / Long, J.M. / Vial, S.C. / Dedi, N. / Dunster, N.J. / Renwick, S.B. / Tanner, A.J. / Frantz, J.D. / Fleming, M.A. / Cheetham, G.M.T. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2004 Title: Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors. Authors: Brown, K. / Long, J.M. / Vial, S.C. / Dedi, N. / Dunster, N.J. / Renwick, S.B. / Tanner, A.J. / Frantz, J.D. / Fleming, M.A. / Cheetham, G.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1snu.cif.gz | 114.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1snu.ent.gz | 88.9 KB | Display | PDB format |
PDBx/mmJSON format | 1snu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sn/1snu ftp://data.pdbj.org/pub/pdb/validation_reports/sn/1snu | HTTPS FTP |
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-Related structure data
Related structure data | 1sm2SC 1snxC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 30104.424 Da / Num. of mol.: 2 / Fragment: CATALYTIC KINASE DOMAIN Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ITK, LYK, EMT / Production host: Escherichia coli (E. coli) / References: UniProt: Q08881, EC: 2.7.1.112 #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.01 Å3/Da / Density % sol: 59.16 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.7 Details: AMMONIUM SULFATE, SODIUM CITRATE, MAGNESIUM ACETATE, DTT, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX14.1 / Wavelength: 1.488 / Wavelength: 1.488 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Oct 28, 2003 |
Radiation | Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.488 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→20 Å / Num. all: 44498 / Num. obs: 22753 / % possible obs: 91.5 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 2 % / Biso Wilson estimate: 50.7 Å2 / Rmerge(I) obs: 0.061 / Rsym value: 0.074 / Net I/σ(I): 11.3 |
Reflection shell | Resolution: 2.5→2.64 Å / Redundancy: 1.6 % / Rmerge(I) obs: 0.296 / Mean I/σ(I) obs: 2.6 / Num. unique all: 2729 / Rsym value: 0.301 / % possible all: 76 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1SM2 Resolution: 2.5→20 Å / Cross valid method: THROUGHOUT / σ(F): 3 / Stereochemistry target values: ENGH & HUBER
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Refinement step | Cycle: LAST / Resolution: 2.5→20 Å
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Refine LS restraints |
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