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Yorodumi- PDB-2c6e: Aurora A kinase activated mutant (T287D) in complex with a 5- ami... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2c6e | ||||||
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Title | Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor | ||||||
Components | SERINE/THREONINE-PROTEIN KINASE 6Serine/threonine-specific protein kinase | ||||||
Keywords | TRANSFERASE/INHIBITOR / TRANSFERASE-INHIBITOR COMPLEX / AURORA / KINASE / CANCER / ATP-BINDING / CELL CYCLE / NUCLEOTIDE- BINDING / PHOSPHORYLATION / SERINE/THREONINE-PROTEIN KINASE / TRANSFERASE | ||||||
Function / homology | Function and homology information Interaction between PHLDA1 and AURKA / regulation of centrosome cycle / axon hillock / spindle assembly involved in female meiosis I / cilium disassembly / spindle pole centrosome / positive regulation of oocyte maturation / histone H3S10 kinase activity / chromosome passenger complex / pronucleus ...Interaction between PHLDA1 and AURKA / regulation of centrosome cycle / axon hillock / spindle assembly involved in female meiosis I / cilium disassembly / spindle pole centrosome / positive regulation of oocyte maturation / histone H3S10 kinase activity / chromosome passenger complex / pronucleus / meiotic spindle / mitotic centrosome separation / protein localization to centrosome / germinal vesicle / anterior/posterior axis specification / centrosome localization / neuron projection extension / positive regulation of mitochondrial fission / spindle organization / mitotic spindle pole / SUMOylation of DNA replication proteins / spindle midzone / regulation of G2/M transition of mitotic cell cycle / protein serine/threonine/tyrosine kinase activity / centriole / positive regulation of mitotic cell cycle / AURKA Activation by TPX2 / TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest / positive regulation of mitotic nuclear division / mitotic spindle organization / ciliary basal body / regulation of signal transduction by p53 class mediator / regulation of cytokinesis / molecular function activator activity / liver regeneration / negative regulation of protein binding / FBXL7 down-regulates AURKA during mitotic entry and in early mitosis / APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1 / regulation of protein stability / spindle / kinetochore / response to wounding / mitotic spindle / microtubule cytoskeleton / G2/M transition of mitotic cell cycle / Regulation of PLK1 Activity at G2/M Transition / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / mitotic cell cycle / midbody / proteasome-mediated ubiquitin-dependent protein catabolic process / basolateral plasma membrane / peptidyl-serine phosphorylation / Regulation of TP53 Activity through Phosphorylation / microtubule / protein autophosphorylation / postsynaptic density / non-specific serine/threonine protein kinase / protein kinase activity / protein heterodimerization activity / cell division / protein phosphorylation / negative regulation of gene expression / protein serine kinase activity / protein serine/threonine kinase activity / centrosome / glutamatergic synapse / apoptotic process / ubiquitin protein ligase binding / negative regulation of apoptotic process / protein kinase binding / perinuclear region of cytoplasm / nucleoplasm / ATP binding / nucleus / cytosol Similarity search - Function | ||||||
Biological species | HOMO SAPIENS (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å | ||||||
Authors | Pauptit, R.A. / Pannifer, A.D. / Breed, J. / McMiken, H.H.J. / Rowsell, S. / Anderson, M. | ||||||
Citation | Journal: Bioorg.Med.Chem.Lett. / Year: 2006 Title: Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors. Authors: Heron, N.M. / Anderson, M. / Blowers, D.P. / Breed, J. / Eden, J.M. / Green, S. / Hill, G.B. / Johnson, T. / Jung, F.H. / Mcmiken, H.H.J. / Mortlock, A.A. / Pannifer, A.D. / Pauptit, R.A. / ...Authors: Heron, N.M. / Anderson, M. / Blowers, D.P. / Breed, J. / Eden, J.M. / Green, S. / Hill, G.B. / Johnson, T. / Jung, F.H. / Mcmiken, H.H.J. / Mortlock, A.A. / Pannifer, A.D. / Pauptit, R.A. / Pink, J. / Roberts, N.J. / Rowsell, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2c6e.cif.gz | 116.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2c6e.ent.gz | 90 KB | Display | PDB format |
PDBx/mmJSON format | 2c6e.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/c6/2c6e ftp://data.pdbj.org/pub/pdb/validation_reports/c6/2c6e | HTTPS FTP |
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-Related structure data
Related structure data | 2c6dSC 1atpS 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: 32772.594 Da / Num. of mol.: 2 / Fragment: CATALYTIC KINASE DOMAIN, RESIDUES 123-401 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): DS410(DE3) / References: UniProt: O14965, EC: 2.7.1.37 #2: Chemical | #3: Water | ChemComp-HOH / | Compound details | POSSIBLE ROLE IN CELL CYCLE REGULATION DURING ANAPHASE AND/OR TELOPHASE ENGINEERED RESIDUE IN CHAIN ...POSSIBLE ROLE IN CELL CYCLE REGULATION | Sequence details | INITIAL GSHM IS REMAINDER OF THROMBIN-CLEAVED 6-HIS TAG. CONSTRUCT CONTAINS GSHM-(T287D)AURORAA(122-400). | |
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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: 2.6 Å3/Da / Density % sol: 62 % Description: CRYSTAL TRANSLATED FOR DIFFERENT EXPOSURES. EPMR USED PARTIALLY-REFINED AURORA-ADPNP 2C6D TRIAL MODEL, WHICH WAS SOLVED USING PKA 1ATP |
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Crystal grow | pH: 7.5 / Details: pH 7.50 |
-Data collection
Diffraction | Mean temperature: 291 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.87 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Nov 7, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→53 Å / Num. obs: 26294 / % possible obs: 72.5 % / Observed criterion σ(I): 0 / Redundancy: 1.4 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 7 |
Reflection shell | Resolution: 2.1→2.25 Å / Rmerge(I) obs: 0.3 / Mean I/σ(I) obs: 2.1 / % possible all: 25.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRIES 1ATP AND 2C6D Resolution: 2.1→53 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Refinement step | Cycle: LAST / Resolution: 2.1→53 Å
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Refine LS restraints |
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