+Open data
-Basic information
Entry | Database: PDB / ID: 6d2m | ||||||
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Title | Beta Carbonic anhydrase in complex with thiocyanate | ||||||
Components | Carbonic anhydrase | ||||||
Keywords | LYASE / Beta CA / carbonic anhydrase / thiocyanate | ||||||
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 / Resolution: 1.9 Å | ||||||
Authors | Murray, A. / Aggarwal, M. / Pinard, M. / McKenna, R. | ||||||
Citation | Journal: ChemMedChem / Year: 2018 Title: Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. Authors: Murray, A.B. / Aggarwal, M. / Pinard, M. / Vullo, D. / Patrauchan, M. / Supuran, C.T. / McKenna, R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6d2m.cif.gz | 100.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6d2m.ent.gz | 76.3 KB | Display | PDB format |
PDBx/mmJSON format | 6d2m.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/d2/6d2m ftp://data.pdbj.org/pub/pdb/validation_reports/d2/6d2m | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 23667.893 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Production host: Escherichia coli (E. coli) References: UniProt: A0A1G5JF57, UniProt: Q9HVB9*PLUS, carbonic anhydrase | ||
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#2: Chemical | ChemComp-ZN / | ||
#3: Chemical | #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: 2.55 Å3/Da / Density % sol: 51.8 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / Details: 50% PEG200; 20 mM Tris-HCl; pH 7.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH3R / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Aug 20, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→19.8 Å / Num. obs: 18841 / % possible obs: 99.8 % / Redundancy: 3.9 % / Net I/σ(I): 12.9 |
Reflection shell | Resolution: 1.9→2 Å |
-Processing
Software |
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Refinement | Resolution: 1.9→19.8 Å / Cross valid method: FREE R-VALUE
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Refinement step | Cycle: LAST / Resolution: 1.9→19.8 Å
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