+Open data
-Basic information
Entry | Database: PDB / ID: 2wtw | ||||||
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Title | Aurora-A Inhibitor Structure (2nd crystal form) | ||||||
Components | SERINE/THREONINE-PROTEIN KINASE 6 AURORA/IPL1-RELATED KINASE 1, BREAST TUMOR-AMPLIFIED KINASE, AURORA-A, AURORA-RELATED KINASE 1, HARK1 | ||||||
Keywords | TRANSFERASE / KINASE / CELL CYCLE / PHOSPHOPROTEIN / PROTEIN KINASE | ||||||
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 / positive regulation of oocyte maturation / spindle pole centrosome / 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 / positive regulation of oocyte maturation / spindle pole centrosome / histone H3S10 kinase activity / chromosome passenger complex / pronucleus / meiotic spindle / mitotic centrosome separation / germinal vesicle / protein localization to centrosome / anterior/posterior axis specification / centrosome localization / neuron projection extension / spindle organization / positive regulation of mitochondrial fission / mitotic spindle pole / SUMOylation of DNA replication proteins / spindle midzone / regulation of G2/M transition of mitotic cell cycle / centriole / protein serine/threonine/tyrosine kinase activity / positive regulation of mitotic cell cycle / positive regulation of mitotic nuclear division / AURKA Activation by TPX2 / TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest / mitotic spindle organization / ciliary basal body / regulation of cytokinesis / negative regulation of protein binding / regulation of signal transduction by p53 class mediator / molecular function activator activity / liver regeneration / 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 microtubule / mitotic spindle / kinetochore / response to wounding / spindle / G2/M transition of mitotic cell cycle / microtubule cytoskeleton / Regulation of PLK1 Activity at G2/M Transition / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / mitotic cell cycle / midbody / basolateral plasma membrane / peptidyl-serine phosphorylation / proteasome-mediated ubiquitin-dependent protein catabolic process / Regulation of TP53 Activity through Phosphorylation / 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: 3.302 Å | ||||||
Authors | Kosmopoulou, M. / Bayliss, R. | ||||||
Citation | Journal: Biochem.J. / Year: 2010 Title: Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design. Authors: Dodson, C.A. / Kosmopoulou, M. / Richards, M.W. / Atrash, B. / Bavetsias, V. / Blagg, J. / Bayliss, R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2wtw.cif.gz | 61.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2wtw.ent.gz | 44 KB | Display | PDB format |
PDBx/mmJSON format | 2wtw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wt/2wtw ftp://data.pdbj.org/pub/pdb/validation_reports/wt/2wtw | HTTPS FTP |
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-Related structure data
Related structure data | 2wtvC 2dwbS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 32992.816 Da / Num. of mol.: 1 / Fragment: CATALYTIC DOMAIN, RESIDUES 122-403 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PET M11 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): CODONPLUS RPIL References: UniProt: O14965, non-specific serine/threonine protein kinase |
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#2: Chemical | ChemComp-ZZL / |
Compound details | ENGINEERED RESIDUE IN CHAIN A, LEU 215 TO ARG ENGINEERED RESIDUE IN CHAIN A, THR 217 TO GLU ...ENGINEERED |
Sequence details | L215R, T217E, R220K MUTATIONS TO MIMIC AURORA-B, N- TERMINAL 'GAM' SEQUENCE FROM VECTOR |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.65 Å3/Da / Density % sol: 53.56 % / Description: NONE |
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Crystal grow | Details: 0.1M MES SODIUM SALT PH6.5, 2.0M AMMONIUM SULFATE, 5%(W/V) PEG 400 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.9795 |
Detector | Type: ADSC CCD / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 3.3→72.9 Å / Num. obs: 5790 / % possible obs: 99.6 % / Observed criterion σ(I): 6 / Redundancy: 14.8 % / Biso Wilson estimate: 76.38 Å2 / Rmerge(I) obs: 0.12 / Net I/σ(I): 20.6 |
Reflection shell | Resolution: 3.3→3.48 Å / Redundancy: 14.8 % / Rmerge(I) obs: 0.47 / Mean I/σ(I) obs: 7.7 / % possible all: 99.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2DWB Resolution: 3.302→66.97 Å / SU ML: 0.39 / σ(F): 0.09 / Phase error: 24.56 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 37.397 Å2 / ksol: 0.351 e/Å3 | ||||||||||||||||||||||||
Displacement parameters | Biso mean: 76.73 Å2
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Refinement step | Cycle: LAST / Resolution: 3.302→66.97 Å
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Refine LS restraints |
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LS refinement shell |
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