+Open data
-Basic information
Entry | Database: PDB / ID: 3ucj | ||||||
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Title | Coccomyxa beta-carbonic anhydrase in complex with acetazolamide | ||||||
Components | Carbonic anhydrase | ||||||
Keywords | LYASE/LYASE INHIBITOR / alpha/beta / strand exchange / LYASE-LYASE INHIBITOR complex | ||||||
Function / homology | Function and homology information carbon utilization / carbonic anhydrase / carbonate dehydratase activity / zinc ion binding Similarity search - Function | ||||||
Biological species | Coccomyxa sp. PA (plant) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 Å | ||||||
Authors | Huang, S. / Hainzl, T. / Sauer-Eriksson, A.E. | ||||||
Citation | Journal: Plos One / Year: 2011 Title: Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide. Authors: Huang, S. / Hainzl, T. / Grundstrom, C. / Forsman, C. / Samuelsson, G. / Sauer-Eriksson, A.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3ucj.cif.gz | 106.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3ucj.ent.gz | 81.9 KB | Display | PDB format |
PDBx/mmJSON format | 3ucj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uc/3ucj ftp://data.pdbj.org/pub/pdb/validation_reports/uc/3ucj | HTTPS FTP |
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-Related structure data
Related structure data | 3uckC 3ucmC 3ucnC 3ucoC 1ekjS 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
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 24725.305 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Coccomyxa sp. PA (plant) / Plasmid: pMAL-c2 / Production host: Escherichia coli (E. coli) / References: UniProt: Q96554, carbonic anhydrase |
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-Non-polymers , 6 types, 362 molecules
#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-PO4 / | #5: Chemical | #6: Chemical | ChemComp-CL / | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.1 Å3/Da / Density % sol: 60.29 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.2 Details: 1.6-2.3 M sodium/potassium phosphate, 10 uM acetazolamide, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-1 / Wavelength: 0.9311 Å |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Nov 6, 2000 |
Radiation | Monochromator: Diamond(001) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9311 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→20 Å / Num. all: 55540 / Num. obs: 55540 / % possible obs: 99 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Rsym value: 0.051 |
Reflection shell | Resolution: 1.85→1.9 Å / Rsym value: 0.378 / % possible all: 98.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1EKJ Resolution: 1.85→19.91 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.955 / SU B: 2.72 / SU ML: 0.081 / Cross valid method: THROUGHOUT / ESU R: 0.111 / ESU R Free: 0.112 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 36.441 Å2
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Refinement step | Cycle: LAST / Resolution: 1.85→19.91 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.85→1.898 Å / Total num. of bins used: 20
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