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Yorodumi- PDB-4rxy: Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated f... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4rxy | ||||||
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Title | Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa | ||||||
Components | Carbonic anhydrase | ||||||
Keywords | LYASE / reversible hydration | ||||||
Function / homology | Function and homology information carbon utilization / carbonic anhydrase / carbonate dehydratase activity / zinc ion binding Similarity search - Function | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.901 Å | ||||||
Authors | Pinard, M.A. / Mckenna, R. | ||||||
Citation | Journal: Bioorg.Med.Chem. / Year: 2015 Title: Structure and inhibition studies of a type II beta-carbonic anhydrase psCA3 from Pseudomonas aeruginosa. Authors: Pinard, M.A. / Lotlikar, S.R. / Boone, C.D. / Vullo, D. / Supuran, C.T. / Patrauchan, M.A. / McKenna, R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4rxy.cif.gz | 100.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4rxy.ent.gz | 77.3 KB | Display | PDB format |
PDBx/mmJSON format | 4rxy.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4rxy_validation.pdf.gz | 431.3 KB | Display | wwPDB validaton report |
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Full document | 4rxy_full_validation.pdf.gz | 432.8 KB | Display | |
Data in XML | 4rxy_validation.xml.gz | 10.4 KB | Display | |
Data in CIF | 4rxy_validation.cif.gz | 13.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rx/4rxy ftp://data.pdbj.org/pub/pdb/validation_reports/rx/4rxy | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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2 |
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3 |
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4 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 24250.568 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Strain: PAO1 / Gene: PA4676 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9HVB9, carbonic anhydrase |
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#2: Chemical | ChemComp-ZN / |
#3: Chemical | ChemComp-GOL / |
#4: 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: 2.51 Å3/Da / Density % sol: 50.99 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 2.2 M ammonium sulfate, 0.1 M malic acid and 0.1 M imidazole, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: CHESS / Beamline: F1 / Wavelength: 0.918 Å | |||||||||||||||||||||
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Mar 25, 2013 | |||||||||||||||||||||
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||
Radiation wavelength | Wavelength: 0.918 Å / Relative weight: 1 | |||||||||||||||||||||
Reflection | Resolution: 1.9→20 Å / Num. obs: 19179 / % possible obs: 98.2 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 | |||||||||||||||||||||
Reflection shell |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.901→19.754 Å / SU ML: 0.16 / σ(F): 1.35 / Phase error: 19.27 / 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: 100.19 Å2 / Biso mean: 32.839 Å2 / Biso min: 13.3 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.901→19.754 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: 7
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Refinement TLS params. | Method: refined / Origin x: -27.263 Å / Origin y: -2.7721 Å / Origin z: -16.4819 Å
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Refinement TLS group |
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