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- PDB-6fe0: Three dimensional structure of human carbonic anhydrase IX in com... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6fe0 | ||||||
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Title | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. | ||||||
![]() | Carbonic anhydrase 9 | ||||||
![]() | LYASE | ||||||
Function / homology | ![]() Regulation of gene expression by Hypoxia-inducible Factor / microvillus membrane / response to testosterone / secretion / Reversible hydration of carbon dioxide / molecular function activator activity / morphogenesis of an epithelium / carbonic anhydrase / carbonate dehydratase activity / one-carbon metabolic process ...Regulation of gene expression by Hypoxia-inducible Factor / microvillus membrane / response to testosterone / secretion / Reversible hydration of carbon dioxide / molecular function activator activity / morphogenesis of an epithelium / carbonic anhydrase / carbonate dehydratase activity / one-carbon metabolic process / basolateral plasma membrane / response to hypoxia / response to xenobiotic stimulus / nucleolus / zinc ion binding / membrane / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Leitans, J. / Tars, K. | ||||||
![]() | ![]() Title: Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Authors: Kazokaite, J. / Niemans, R. / Dudutiene, V. / Becker, H.M. / Leitans, J. / Zubriene, A. / Baranauskiene, L. / Gondi, G. / Zeidler, R. / Matuliene, J. / Tars, K. / Yaromina, A. / Lambin, P. / ...Authors: Kazokaite, J. / Niemans, R. / Dudutiene, V. / Becker, H.M. / Leitans, J. / Zubriene, A. / Baranauskiene, L. / Gondi, G. / Zeidler, R. / Matuliene, J. / Tars, K. / Yaromina, A. / Lambin, P. / Dubois, L.J. / Matulis, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 219.1 KB | Display | ![]() |
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PDB format | ![]() | 173.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2 MB | Display | ![]() |
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Full document | ![]() | 2 MB | Display | |
Data in XML | ![]() | 46.4 KB | Display | |
Data in CIF | ![]() | 65.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6fe1C ![]() 6fe2C ![]() 6g98C ![]() 6g9uC ![]() 3iaiS 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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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 28172.684 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() #2: Chemical | ChemComp-ZN / #3: Chemical | ChemComp-V90 / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.44 Å3/Da / Density % sol: 64.29 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 4.5 Details: 1.0 M DI-AMMONIUM HYDROGEN PHOSPHATE, 0.1 M SODIUM ACETATE PH 4.5, PROTEIN 10 MG/ML, 5-10 MM INHIBITOR (STOCK SOLUTION WAS 100 MM INHIBITOR DISSOLVED IN 100% DIMETHYL SULFOXIDE) |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 27, 2016 |
Radiation | Monochromator: KMC-1 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9184 Å / Relative weight: 1 |
Reflection | Resolution: 1.91→26 Å / Num. obs: 112458 / % possible obs: 97.1 % / Redundancy: 2.7 % / Biso Wilson estimate: 23.1 Å2 / Rmerge(I) obs: 0.079 / Net I/σ(I): 8.2 |
Reflection shell | Resolution: 1.91→2.01 Å / Redundancy: 2.7 % / Rmerge(I) obs: 0.538 / Mean I/σ(I) obs: 2 / Num. unique obs: 16628 / % possible all: 98.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3IAI Resolution: 1.91→26 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.949 / SU B: 3.156 / SU ML: 0.087 / Cross valid method: THROUGHOUT / ESU R: 0.111 / ESU R Free: 0.112 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 29.559 Å2
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Refinement step | Cycle: 1 / Resolution: 1.91→26 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.91→1.959 Å / Total num. of bins used: 20
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