+Open data
-Basic information
Entry | Database: PDB / ID: 4as7 | ||||||
---|---|---|---|---|---|---|---|
Title | Eg5 complex 1 | ||||||
Components | KINESIN-LIKE PROTEIN KIF11 | ||||||
Keywords | MOTOR PROTEIN | ||||||
Function / homology | Function and homology information spindle elongation / regulation of mitotic centrosome separation / Kinesins / plus-end-directed microtubule motor activity / mitotic centrosome separation / COPI-dependent Golgi-to-ER retrograde traffic / microtubule motor activity / spindle organization / kinesin complex / microtubule-based movement ...spindle elongation / regulation of mitotic centrosome separation / Kinesins / plus-end-directed microtubule motor activity / mitotic centrosome separation / COPI-dependent Golgi-to-ER retrograde traffic / microtubule motor activity / spindle organization / kinesin complex / 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 / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | ||||||
Authors | Talapatra, S.K. / Kozielski, F. | ||||||
Citation | Journal: J.Med.Chem. / Year: 2013 Title: The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism. Authors: Talapatra, S.K. / Anthony, N.G. / Mackay, S.P. / Kozielski, F. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 4as7.cif.gz | 94.6 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb4as7.ent.gz | 68.3 KB | Display | PDB format |
PDBx/mmJSON format | 4as7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4as7_validation.pdf.gz | 1.1 MB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 4as7_full_validation.pdf.gz | 1.1 MB | Display | |
Data in XML | 4as7_validation.xml.gz | 18.9 KB | Display | |
Data in CIF | 4as7_validation.cif.gz | 27.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/as/4as7 ftp://data.pdbj.org/pub/pdb/validation_reports/as/4as7 | HTTPS FTP |
-Related structure data
Related structure data | 4a1zC 4a28C 4b7bC 4bxnC 1x88S S: Starting model for refinement C: citing same article (ref.) |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 41099.590 Da / Num. of mol.: 1 / Fragment: MOTOR DOMAIN, RESIDUES 1-368 / 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): BL21(DE3) / Variant (production host): PLYSS / References: UniProt: P52732 |
---|
-Non-polymers , 6 types, 271 molecules
#2: Chemical | ChemComp-ADP / | ||||||||
---|---|---|---|---|---|---|---|---|---|
#3: Chemical | ChemComp-CL / #4: Chemical | ChemComp-CO / | #5: Chemical | ChemComp-CD / #6: Chemical | ChemComp-6LX / | #7: Water | ChemComp-HOH / | |
-Details
Compound details | ENGINEERED |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 15 |
---|
-Sample preparation
Crystal | Density Matthews: 2.87 Å3/Da / Density % sol: 57.14 % / Description: NONE |
---|---|
Crystal grow | Details: 0.02 M CACL2 DEHYDRATE, 0.02 M CADMIUM CHLORIDE HYDRATE, 0.02 M COBALT(II) CHLORIDE HEXAHYDRATE, 20% W/V PEG-3350 |
-Data collection
Diffraction | Mean temperature: 277 K |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9795 |
Detector | Date: Jan 20, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→30 Å / Num. obs: 10595 / % possible obs: 98.3 % / Observed criterion σ(I): 2 / Redundancy: 7.5 % / Biso Wilson estimate: 21.08 Å2 / Rmerge(I) obs: 0.09 / Net I/σ(I): 14.8 |
Reflection shell | Resolution: 2.4→2.5 Å / Redundancy: 7 % / Rmerge(I) obs: 0.36 / Mean I/σ(I) obs: 5.6 / % possible all: 98.9 |
-Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1X88 Resolution: 2.4→28.936 Å / SU ML: 0.56 / σ(F): 1.38 / Phase error: 19.81 / Stereochemistry target values: ML
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 30.612 Å2 / ksol: 0.332 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 23.8 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→28.936 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell |
|