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Yorodumi- PDB-3l9h: X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3l9h | ||||||
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Title | X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the hexahydro-2H-pyrano[3,2-c]quinoline EMD 534085 | ||||||
Components | Kinesin-like protein KIF11 | ||||||
Keywords | MOTOR PROTEIN / mitotic spindle kinesin / EG5 / small molecule inhibitor / EMD 534085 / Acetylation / ATP-binding / Cell cycle / Cell division / Coiled coil / Microtubule / Mitosis / Nucleotide-binding / Phosphoprotein / Polymorphism | ||||||
Function / homology | Function and homology information spindle elongation / Kinesins / plus-end-directed microtubule motor activity / regulation of mitotic centrosome separation / mitotic centrosome separation / COPI-dependent Golgi-to-ER retrograde traffic / kinesin complex / microtubule motor activity / spindle organization / microtubule-based movement ...spindle elongation / Kinesins / plus-end-directed microtubule motor activity / regulation of mitotic centrosome separation / mitotic centrosome separation / COPI-dependent Golgi-to-ER retrograde traffic / kinesin complex / microtubule motor activity / spindle organization / microtubule-based movement / mitotic spindle assembly / MHC class II antigen presentation / mitotic spindle organization / mitotic spindle / spindle / spindle pole / mitotic cell cycle / microtubule binding / microtubule / cell division / protein kinase binding / protein-containing complex / ATP binding / membrane / nucleus / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2 Å | ||||||
Authors | Knoechel, T. | ||||||
Citation | Journal: Bioorg.Med.Chem.Lett. / Year: 2010 Title: The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5. Authors: Schiemann, K. / Finsinger, D. / Zenke, F. / Amendt, C. / Knochel, T. / Bruge, D. / Buchstaller, H.P. / Emde, U. / Stahle, W. / Anzali, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3l9h.cif.gz | 149.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3l9h.ent.gz | 117.2 KB | Display | PDB format |
PDBx/mmJSON format | 3l9h.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/l9/3l9h ftp://data.pdbj.org/pub/pdb/validation_reports/l9/3l9h | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Details | monomer |
-Components
#1: Protein | Mass: 41055.582 Da / Num. of mol.: 2 / Fragment: Kinesin-motor Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: EG5, KIF11, KNSL1, TRIP5 / Plasmid: pRSETA / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P52732 #2: Chemical | #3: Chemical | #4: 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: 2.7 Å3/Da / Density % sol: 54.38 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 17-18% w/v PEG3350, 0.23-0.26M ammonium citrate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 0.9001 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: May 21, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9001 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. all: 51847 / Num. obs: 51847 / % possible obs: 88.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.5 % / Rsym value: 0.061 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 1.3 % / Num. unique all: 2543 / Rsym value: 0.42 / % possible all: 43.5 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS / Resolution: 2→30 Å / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2→30 Å
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Refine LS restraints |
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