+Open data
-Basic information
Entry | Database: PDB / ID: 4u5n | ||||||
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Title | IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | ||||||
Components | Importin subunit alpha-1 | ||||||
Keywords | TRANSPORT PROTEIN / TPX2 / importin-alpha | ||||||
Function / homology | Function and homology information Sensing of DNA Double Strand Breaks / entry of viral genome into host nucleus through nuclear pore complex via importin / positive regulation of viral life cycle / NLS-dependent protein nuclear import complex / postsynapse to nucleus signaling pathway / nuclear import signal receptor activity / nuclear localization sequence binding / NLS-bearing protein import into nucleus / host cell / cytoplasmic stress granule ...Sensing of DNA Double Strand Breaks / entry of viral genome into host nucleus through nuclear pore complex via importin / positive regulation of viral life cycle / NLS-dependent protein nuclear import complex / postsynapse to nucleus signaling pathway / nuclear import signal receptor activity / nuclear localization sequence binding / NLS-bearing protein import into nucleus / host cell / cytoplasmic stress granule / protein import into nucleus / histone deacetylase binding / nuclear membrane / DNA-binding transcription factor binding / postsynaptic density / glutamatergic synapse / nucleoplasm / nucleus / cytosol Similarity search - Function | ||||||
Biological species | Mus musculus (house mouse) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.31 Å | ||||||
Authors | Stewart, M. / Valkov, E. / Holvey, R.S. | ||||||
Citation | Journal: Chemmedchem / Year: 2015 Title: Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Authors: Holvey, R.S. / Valkov, E. / Neal, D. / Stewart, M. / Abell, C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4u5n.cif.gz | 98.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4u5n.ent.gz | 73.1 KB | Display | PDB format |
PDBx/mmJSON format | 4u5n.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/u5/4u5n ftp://data.pdbj.org/pub/pdb/validation_reports/u5/4u5n | HTTPS FTP |
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-Related structure data
Related structure data | 4u54C 4u58C 4u5lC 4u5oC 4u5sC 4u5uC 4u5vC 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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Unit cell |
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Details | biological unit is the same as asym. |
-Components
#1: Protein | Mass: 46143.828 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: Kpna2, Rch1 / Production host: Escherichia coli (E. coli) / References: UniProt: P52293 |
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#2: Chemical | ChemComp-3D4 / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.83 Å3/Da / Density % sol: 67.92 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / Details: see manuscript |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.919 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 28, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.919 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→67 Å / Num. obs: 31713 / % possible obs: 99.8 % / Redundancy: 7.8 % / Biso Wilson estimate: 42.84 Å2 / Net I/σ(I): 13.4 |
-Processing
Software |
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Refinement | Resolution: 2.31→45.54 Å / SU ML: 0.27 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.62 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 117.15 Å2 / Biso mean: 52.425 Å2 / Biso min: 27.33 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.31→45.54 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 11
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