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- PDB-3d15: Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Me... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3d15 | ||||||
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Title | Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314] | ||||||
![]() | serine/threonine kinase 6 | ||||||
![]() | TRANSFERASE / Aurora A / small-molecule inhibitor / Kinase | ||||||
Function / homology | ![]() Interaction between PHLDA1 and AURKA / TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest / APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1 / FBXL7 down-regulates AURKA during mitotic entry and in early mitosis / AURKA Activation by TPX2 / meiotic spindle organization / Regulation of PLK1 Activity at G2/M Transition / Regulation of TP53 Activity through Phosphorylation / axon hillock / spindle assembly involved in female meiosis I ...Interaction between PHLDA1 and AURKA / TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest / APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1 / FBXL7 down-regulates AURKA during mitotic entry and in early mitosis / AURKA Activation by TPX2 / meiotic spindle organization / Regulation of PLK1 Activity at G2/M Transition / Regulation of TP53 Activity through Phosphorylation / axon hillock / spindle assembly involved in female meiosis I / cilium disassembly / positive regulation of oocyte maturation / spindle pole centrosome / histone H3S10 kinase activity / chromosome passenger complex / pronucleus / mitotic centrosome separation / meiotic spindle / germinal vesicle / centrosome cycle / protein localization to centrosome / anterior/posterior axis specification / microtubule organizing center / centrosome localization / neuron projection extension / positive regulation of mitochondrial fission / mitotic spindle pole / spindle midzone / centriole / positive regulation of mitotic cell cycle / mitotic spindle organization / ciliary basal body / regulation of cytokinesis / meiotic cell cycle / spindle microtubule / liver regeneration / regulation of protein stability / mitotic spindle / kinetochore / spindle pole / response to wounding / microtubule cytoskeleton organization / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / mitotic cell cycle / basolateral plasma membrane / proteasome-mediated ubiquitin-dependent protein catabolic process / postsynaptic density / non-specific serine/threonine protein kinase / protein kinase activity / protein heterodimerization activity / cell division / negative regulation of gene expression / protein serine kinase activity / protein serine/threonine kinase activity / centrosome / glutamatergic synapse / ubiquitin protein ligase binding / apoptotic process / negative regulation of apoptotic process / protein kinase binding / perinuclear region of cytoplasm / nucleoplasm / ATP binding / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Elling, R.A. / Bui, M. / Allen, D.A. / Oslob, J.D. / Romanowski, M.J. | ||||||
![]() | ![]() Title: Discovery of a potent and selective aurora kinase inhibitor. Authors: Oslob, J.D. / Romanowski, M.J. / Allen, D.A. / Baskaran, S. / Bui, M. / Elling, R.A. / Flanagan, W.M. / Fung, A.D. / Hanan, E.J. / Harris, S. / Heumann, S.A. / Hoch, U. / Jacobs, J.W. / Lam, ...Authors: Oslob, J.D. / Romanowski, M.J. / Allen, D.A. / Baskaran, S. / Bui, M. / Elling, R.A. / Flanagan, W.M. / Fung, A.D. / Hanan, E.J. / Harris, S. / Heumann, S.A. / Hoch, U. / Jacobs, J.W. / Lam, J. / Lawrence, C.E. / McDowell, R.S. / Nannini, M.A. / Shen, W. / Silverman, J.A. / Sopko, M.M. / Tangonan, B.T. / Teague, J. / Yoburn, J.C. / Yu, C.H. / Zhong, M. / Zimmerman, K.M. / O'Brien, T. / Lew, W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 71.2 KB | Display | ![]() |
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PDB format | ![]() | 51.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3d14C ![]() 1mq4S C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 31549.174 Da / Num. of mol.: 1 / Fragment: Aurora-A kinase domain, UNP residues 116-382 / Mutation: N186G, K240R, M302L Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q8C3H8, UniProt: P97477*PLUS, non-specific serine/threonine protein kinase |
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#2: Chemical | ChemComp-AK2 / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.62 Å3/Da / Density % sol: 53.12 % |
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Crystal grow | Temperature: 293 K Details: Protein at 8.5 mg/ml in 50 mM Tris pH 7.0, 200 mM NaCl, 3 mM DTT, hanging-drop, vapor diffusion, mother liquor:bis-Tris propane ph 7.0, 35% tacsimate, temperature:293K, cryoprotectant: ...Details: Protein at 8.5 mg/ml in 50 mM Tris pH 7.0, 200 mM NaCl, 3 mM DTT, hanging-drop, vapor diffusion, mother liquor:bis-Tris propane ph 7.0, 35% tacsimate, temperature:293K, cryoprotectant:tacsimate, crystal frozen by immersion in liquid nitrogen |
-Data collection
Diffraction | Mean temperature: 180 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Apr 28, 2008 Details: Vertical focusing mirror; single crystal (Si111) bent monochromator (horizontal focusing) |
Radiation | Monochromator: side scattering I-beam bent single crystal; asymmetric cut 4.9650 deg Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→30 Å / Num. all: 16029 / Num. obs: 15885 / % possible obs: 99.1 % / Redundancy: 5 % / Rmerge(I) obs: 0.046 / Net I/σ(I): 17.3 |
Reflection shell | Resolution: 2.3→2.4 Å / Rmerge(I) obs: 0.396 / Mean I/σ(I) obs: 3.3 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 1mq4 Resolution: 2.3→20 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.916 / SU B: 8.412 / SU ML: 0.206 / Cross valid method: THROUGHOUT / ESU R: 0.345 / ESU R Free: 0.265 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 58.147 Å2
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Refinement step | Cycle: LAST / Resolution: 2.3→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.38 Å / Total num. of bins used: 15
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