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- PDB-3p55: Human carbonic anhydrase II in complex with p-(4-ferrocenyl-1H-1,... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3p55 | ||||||
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Title | Human carbonic anhydrase II in complex with p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide | ||||||
![]() | Carbonic anhydrase 2 | ||||||
![]() | LYASE / carbonic anhydrase alpha / cytosolic | ||||||
Function / homology | ![]() 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 | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Salmon, A.J. | ||||||
![]() | ![]() Title: Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Authors: Salmon, A.J. / Williams, M.L. / Hofmann, A. / Poulsen, S.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 69.8 KB | Display | ![]() |
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PDB format | ![]() | 50.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 730.7 KB | Display | ![]() |
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Full document | ![]() | 735.4 KB | Display | |
Data in XML | ![]() | 14 KB | Display | |
Data in CIF | ![]() | 19.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3p3hC ![]() 3p3jC ![]() 3p44C ![]() 3hknS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 29289.062 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||
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#2: Chemical | ChemComp-670 / | ||||
#3: Chemical | #4: Chemical | ChemComp-ZN / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 41.55 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 2.9M ammonium sulfate, 0.1M MES/NaOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210r / Detector: CCD / Date: Jul 1, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.509 Å / Relative weight: 1 |
Reflection | Resolution: 2→25 Å / Num. obs: 16029 / % possible obs: 94.6 % / Redundancy: 3.8 % / Biso Wilson estimate: 17.03 Å2 / Rsym value: 0.078 |
Reflection shell | Highest resolution: 2 Å / Redundancy: 3.8 % / Rsym value: 0.157 / % possible all: 92.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3hkn Resolution: 2→25 Å / Stereochemistry target values: MAXIMUM LIKELIHOOD
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Displacement parameters | Biso mean: 17.4 Å2 | ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→25 Å
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Refine LS restraints |
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LS refinement shell | Highest resolution: 2 Å / % reflection obs: 92.4 % |