+Open data
-Basic information
Entry | Database: PDB / ID: 1a42 | ||||||
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Title | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE | ||||||
Components | CARBONIC ANHYDRASE II | ||||||
Keywords | LYASE / ZINC / INHIBITOR | ||||||
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 / extracellular exosome / zinc ion binding / plasma membrane / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / DIFFERENCE FOURIER / Resolution: 2.25 Å | ||||||
Authors | Boriack-Sjodin, P.A. / Christianson, D.W. | ||||||
Citation | Journal: Protein Sci. / Year: 1998 Title: Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Authors: Stams, T. / Chen, Y. / Boriack-Sjodin, P.A. / Hurt, J.D. / Liao, J. / May, J.A. / Dean, T. / Laipis, P. / Silverman, D.N. / Christianson, D.W. #1: Journal: Protein Sci. / Year: 1998 Title: Structural Analysis of Inhibitor Binding to Human Carbonic Anhydrase II Authors: Boriack-Sjodin, P.A. / Zeitlin, S. / Chen, H.H. / Crenshaw, L. / Gross, S. / Dantanarayana, A. / Delgado, P. / May, J.A. / Dean, T. / 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 | 1a42.cif.gz | 66.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1a42.ent.gz | 47.6 KB | Display | PDB format |
PDBx/mmJSON format | 1a42.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1a42_validation.pdf.gz | 439.9 KB | Display | wwPDB validaton report |
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Full document | 1a42_full_validation.pdf.gz | 447.6 KB | Display | |
Data in XML | 1a42_validation.xml.gz | 7.8 KB | Display | |
Data in CIF | 1a42_validation.cif.gz | 11.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a4/1a42 ftp://data.pdbj.org/pub/pdb/validation_reports/a4/1a42 | HTTPS FTP |
-Related 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) / Gene: HUMAN CAII / Gene (production host): HUMAN CAII / Production host: Escherichia coli (E. coli) / References: UniProt: P00918, carbonic anhydrase |
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#2: Chemical | ChemComp-HG / |
#3: Chemical | ChemComp-ZN / |
#4: Chemical | ChemComp-BZU / ( |
#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: 2.16 Å3/Da / Density % sol: 42.94 % | ||||||||||||||||||||||||||||||
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Crystal grow | pH: 8 / Details: pH 8.0 | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8.5 / Method: microdialysis | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 295 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: SIEMENS / Detector: AREA DETECTOR / Date: Sep 1, 1993 / Details: MIRRORS |
Radiation | Monochromator: NI FILTER / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.25→8 Å / Num. obs: 8703 / % possible obs: 65.5 % / Observed criterion σ(I): 2 / Redundancy: 2.08 % / Rmerge(I) obs: 0.098 |
Reflection | *PLUS Num. measured all: 18107 |
-Processing
Software |
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Refinement | Method to determine structure: DIFFERENCE FOURIER Starting model: HUMAN CAII Resolution: 2.25→8 Å / Num. reflection obs: 7483 / σ(F): 2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.25→8 Å
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Refine LS restraints |
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Software | *PLUS Name: PROLSQ / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.144 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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