+Open data
-Basic information
Entry | Database: PDB / ID: 2rna | ||||||
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Title | Itk SH3 average minimized | ||||||
Components | Tyrosine-protein kinase ITK/TSK | ||||||
Keywords | TRANSFERASE / Itk / SH3 / beta barrel / 310 helix / regulatory / ATP-binding / Kinase / Membrane / Metal-binding / Nucleotide-binding / Phosphoprotein / SH2 domain / SH3 domain / Tyrosine-protein kinase / Zinc / Zinc-finger | ||||||
Function / homology | Function and homology information Generation of second messenger molecules / FCERI mediated Ca+2 mobilization / gamma-delta T cell activation / NK T cell differentiation / activation of phospholipase C activity / 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 ...Generation of second messenger molecules / FCERI mediated Ca+2 mobilization / gamma-delta T cell activation / NK T cell differentiation / activation of phospholipase C activity / 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 / protein phosphorylation / ATP binding / metal ion binding / nucleus / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | Mus musculus (house mouse) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model type details | minimized average | ||||||
Authors | Severin, A.J. | ||||||
Citation | Journal: To be Published Title: NMR structure note: murine Itk SH3 domain Authors: Severin, A.J. / Fulton, D.B. / Andreotti, A.H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2rna.cif.gz | 28.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2rna.ent.gz | 22 KB | Display | PDB format |
PDBx/mmJSON format | 2rna.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rn/2rna ftp://data.pdbj.org/pub/pdb/validation_reports/rn/2rna | 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 | Mass: 7470.039 Da / Num. of mol.: 1 / Fragment: SH3 domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: Itk, Emt, Tlk, Tsk / Plasmid: pgex2T / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) References: UniProt: Q03526, non-specific protein-tyrosine kinase |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 15N 1H HSQC, CBCA(CO)CH, HN(CA)CB, HBHA(CO)NH, HBHANH, HNCO, (HB)CB(CGCDCE)HE, (HB)CB(CGCD)HD, (H)CCH-TOCSY, 3D 15N-edited TOCSY, 2D homonuclear TOCSY, 2D homonuclear NOESY, 3D 13C-edited ...Type: 15N 1H HSQC, CBCA(CO)CH, HN(CA)CB, HBHA(CO)NH, HBHANH, HNCO, (HB)CB(CGCDCE)HE, (HB)CB(CGCD)HD, (H)CCH-TOCSY, 3D 15N-edited TOCSY, 2D homonuclear TOCSY, 2D homonuclear NOESY, 3D 13C-edited aliphatic NOESY, 3D 13C-edited aromatic NOESY, 15N-edited NOESY, 15N-edited TOCSY, IPAP 1H-15N, J correlation HNHA, long range coupling HNCO hydrogen bond experiment |
-Sample preparation
Details | Contents: 3.4mM [U-100% 13C; U-100% 15N] Itk Sh3, 95% H2O/5% D2O Solvent system: 95% H2O/5% D2O |
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Sample | Conc.: 3.4 mM / Component: Itk Sh3 / Isotopic labeling: [U-100% 13C; U-100% 15N] |
Sample conditions | Ionic strength: 75mM NaCl / pH: 7.4 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVII / Manufacturer: Bruker / Model: AVII / Field strength: 700.133 MHz |
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-Processing
NMR software | Name: CNS / Developer: Schwieters, Kuszewski, Tjandra and Clore / Classification: refinement |
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Refinement | Method: simulated annealing / Software ordinal: 1 / Details: Xplor-NIH refine.py script |
NMR representative | Selection criteria: minimized average structure |
NMR ensemble | Conformers submitted total number: 1 |