+Open data
-Basic information
Entry | Database: PDB / ID: 1if4 | ||||||
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Title | Carbonic Anhydrase II Complexed With 4-fluorobenzenesulfonamide | ||||||
Components | Carbonic Anhydrase II | ||||||
Keywords | LYASE / Carbonic Anhydrase II / 4-fluorobenzenesulfonamide | ||||||
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 / morphogenesis of an epithelium / regulation of intracellular pH / 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 / zinc ion binding / extracellular exosome / plasma membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / FOURIER SYNTHESIS / Resolution: 1.93 Å | ||||||
Authors | Kim, C.-Y. / Christianson, D.W. | ||||||
Citation | Journal: To be Published Title: Binding of Fluorine Substituted Benzenesulfonamides to Carbonic Anhydrase II Authors: Kim, C.-Y. / Christianson, D.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1if4.cif.gz | 65.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1if4.ent.gz | 47 KB | Display | PDB format |
PDBx/mmJSON format | 1if4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1if4_validation.pdf.gz | 387.1 KB | Display | wwPDB validaton report |
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Full document | 1if4_full_validation.pdf.gz | 389.4 KB | Display | |
Data in XML | 1if4_validation.xml.gz | 7.3 KB | Display | |
Data in CIF | 1if4_validation.cif.gz | 10.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/if/1if4 ftp://data.pdbj.org/pub/pdb/validation_reports/if/1if4 | HTTPS FTP |
-Related structure data
Related structure data | 1if5C 1if6C 2cbaS 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 genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli) / References: UniProt: P00918, carbonic anhydrase |
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#2: Chemical | ChemComp-ZN / |
#3: Chemical | ChemComp-HG / |
#4: Chemical | ChemComp-FBS / |
#5: 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: 2.22 Å3/Da / Density % sol: 44.71 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8 Details: methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.54 Å |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Mar 16, 2000 |
Radiation | Monochromator: YALE MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.93→20 Å / Num. all: 19051 / Num. obs: 17338 / % possible obs: 98.6 % / Observed criterion σ(F): 2 / Redundancy: 5.5 % / Biso Wilson estimate: 15.71 Å2 / Rmerge(I) obs: 0.122 / Net I/σ(I): 15.9 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS Starting model: PDB ENTRY 2CBA Resolution: 1.93→20 Å / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 1.93→20 Å
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Refine LS restraints |
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