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Yorodumi- PDB-2osm: Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2osm | ||||||
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Title | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | ||||||
Components | Carbonic anhydrase 2 | ||||||
Keywords | LYASE / Human carbonic anhydrase II / 2-hydroxythiophenol | ||||||
Function / homology | Function and homology information positive regulation of cellular pH reduction / positive regulation of dipeptide transmembrane transport / regulation of monoatomic anion transport / secretion / cyanamide hydratase / cyanamide hydratase activity / arylesterase activity / regulation of chloride transport / Reversible hydration of carbon dioxide / angiotensin-activated signaling pathway ...positive regulation of cellular pH reduction / positive regulation of dipeptide transmembrane transport / regulation of monoatomic anion transport / secretion / cyanamide hydratase / cyanamide hydratase activity / arylesterase activity / regulation of chloride transport / Reversible hydration of carbon dioxide / angiotensin-activated signaling pathway / positive regulation of synaptic transmission, GABAergic / regulation of intracellular pH / morphogenesis of an epithelium / carbonic anhydrase / carbonate dehydratase activity / carbon dioxide transport / Erythrocytes take up oxygen and release carbon dioxide / Erythrocytes take up carbon dioxide and release oxygen / neuron cellular homeostasis / one-carbon metabolic process / apical part of cell / myelin sheath / extracellular exosome / zinc ion binding / plasma membrane / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.6 Å | ||||||
Authors | Albert, A.B. / Caroli, G. / Govindasamy, L. / Agbandje-Mckenna, M. / McKenna, R. / Tripp, B.C. | ||||||
Citation | Journal: Biochemistry / Year: 2008 Title: Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study. Authors: Barrese, A.A. / Genis, C. / Fisher, S.Z. / Orwenyo, J.N. / Kumara, M.T. / Dutta, S.K. / Phillips, E. / Kiddle, J.J. / Tu, C. / Silverman, D.N. / Govindasamy, L. / Agbandje-McKenna, M. / McKenna, R. / Tripp, B.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2osm.cif.gz | 67.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2osm.ent.gz | 48.2 KB | Display | PDB format |
PDBx/mmJSON format | 2osm.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/os/2osm ftp://data.pdbj.org/pub/pdb/validation_reports/os/2osm | HTTPS FTP |
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-Related structure data
Related structure data | 2osfC 1tbtS 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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-Components
#1: Protein | Mass: 29157.863 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Homo sapiens (human) / References: UniProt: P00918, carbonic anhydrase |
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#2: Chemical | ChemComp-ZN / |
#3: Chemical | ChemComp-HTS / |
#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: 2.17 Å3/Da / Density % sol: 43.4 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.8 Details: Tris-HCl, sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 277 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Details: osmic mirros |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→20 Å / Num. obs: 30184 / % possible obs: 90.6 % / Redundancy: 2.5 % / Rsym value: 0.134 |
Reflection shell | Resolution: 1.6→1.66 Å / Num. unique all: 2499 / Rsym value: 0.278 / % possible all: 75.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1TBT Resolution: 1.6→20 Å / Cross valid method: throught / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.6→20 Å
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Refine LS restraints |
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