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Yorodumi- PDB-4lum: The crystal structure of the P132V mutant of Pyrococcus furiosus ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4lum | ||||||
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Title | The crystal structure of the P132V mutant of Pyrococcus furiosus phosphoglucose isomerase in complex with manganese and fructose-6- phosphate. | ||||||
Components | Glucose-6-phosphate isomerase | ||||||
Keywords | ISOMERASE / Cupin Fold / Glucose 6-phosphate and Fructose 6-phosphate binding protein | ||||||
Function / homology | Function and homology information glucose-6-phosphate isomerase / glucose-6-phosphate isomerase activity / gluconeogenesis / glycolytic process / iron ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | Pyrococcus furiosus (archaea) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.79 Å | ||||||
Authors | Baker, P.J. / Almourfi, F.M. | ||||||
Citation | Journal: To be Published Title: Correlated mutation analysis as a tool for smart library design to improve protein performance. Authors: Baker, P.J. / Almourfi, F.M. / Raedts, J. / Joosten, H.-J. / Hendriks, S. / Kengen, S.W.M. / Hage, W.R. / Schaap, P.J. / Sedelnikova, S.E. / Van der Oost, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4lum.cif.gz | 171.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4lum.ent.gz | 136.2 KB | Display | PDB format |
PDBx/mmJSON format | 4lum.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lu/4lum ftp://data.pdbj.org/pub/pdb/validation_reports/lu/4lum | HTTPS FTP |
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-Related structure data
Related structure data | 4ltaC 4lukC 4lulC 1x7nS 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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Details | The asymmetric unit contains the biological dimer. |
-Components
#1: Protein | Mass: 21638.648 Da / Num. of mol.: 2 / Mutation: P132V Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pyrococcus furiosus (archaea) / Strain: ATCC 43587 / DSM 3638 / JCM 8422 / Vc1 / Gene: pgiA, PF0196 / Plasmid: pET24d / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P83194, glucose-6-phosphate isomerase #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: 2.2 Å3/Da / Density % sol: 44.12 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.2 M sodium nitrate, 0.1 M Bis Tris Propane PH6.5, 20% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I24 / Wavelength: 0.9686 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 4, 2011 / Details: Diamond I03 |
Radiation | Monochromator: Diamond I03 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9686 Å / Relative weight: 1 |
Reflection | Resolution: 1.79→18.49 Å / Num. all: 33074 / Num. obs: 33074 / % possible obs: 95.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 1.8 % / Rmerge(I) obs: 0.086 / Net I/σ(I): 4.3 |
Reflection shell | Resolution: 1.79→1.84 Å / Redundancy: 1.8 % / Rmerge(I) obs: 0.349 / Mean I/σ(I) obs: 2.2 / Num. unique all: 2386 / % possible all: 94 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1X7N Resolution: 1.79→18.49 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.943 / SU B: 6.138 / SU ML: 0.088 / Cross valid method: THROUGHOUT / ESU R: 0.451 / ESU R Free: 0.13 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.347 Å2
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Refinement step | Cycle: LAST / Resolution: 1.79→18.49 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.794→1.84 Å / Total num. of bins used: 20
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