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Yorodumi- PDB-1rj6: Crystal Structure of the Extracellular Domain of Murine Carbonic ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1rj6 | |||||||||
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Title | Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase XIV in Complex with Acetazolamide | |||||||||
Components | Carbonic anhydrase XIV | |||||||||
Keywords | LYASE / beta-sheet / alpha-helix / zinc enzyme | |||||||||
Function / homology | Function and homology information Reversible hydration of carbon dioxide / regulation of pH / carbonic anhydrase / carbonate dehydratase activity / carbon dioxide transport / one-carbon metabolic process / basolateral plasma membrane / apical plasma membrane / zinc ion binding / plasma membrane Similarity search - Function | |||||||||
Biological species | Mus musculus (house mouse) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.9 Å | |||||||||
Authors | Whittington, D.A. / Grubb, J.H. / Waheed, A. / Shah, G.N. / Sly, W.S. / Christianson, D.W. | |||||||||
Citation | Journal: J.Biol.Chem. / Year: 2004 Title: Expression, assay, and structure of the extracellular domain of murine carbonic anhydrase XIV: implications for selective inhibition of membrane-associated isozymes. Authors: Whittington, D.A. / Grubb, J.H. / Waheed, A. / Shah, G.N. / Sly, W.S. / Christianson, D.W. | |||||||||
History |
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Remark 999 | sequence the authors maintain that for this residue the sequencing results conducted by them do not ...sequence the authors maintain that for this residue the sequencing results conducted by them do not agree with that deposited in the sequence database. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1rj6.cif.gz | 104.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1rj6.ent.gz | 85.1 KB | Display | PDB format |
PDBx/mmJSON format | 1rj6.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rj/1rj6 ftp://data.pdbj.org/pub/pdb/validation_reports/rj/1rj6 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 29332.346 Da / Num. of mol.: 2 / Fragment: extracellular domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: CA14, CAR14, CATM / Plasmid: pCXN / Cell line (production host): COS-7 / Production host: Chlorocebus aethiops (grivet) / References: UniProt: Q9WVT6, carbonic anhydrase |
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-Sugars , 2 types, 2 molecules
#2: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source |
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#3: Polysaccharide | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source |
-Non-polymers , 3 types, 36 molecules
#4: Chemical | #5: Chemical | #6: 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: 2.78 Å3/Da / Density % sol: 55.82 % | |||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: PEG 4000, sodium acetate, sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K | |||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.2 / Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X12C / Wavelength: 1.10004 Å |
Detector | Type: BRANDEIS - B4 / Detector: CCD / Date: May 29, 2003 |
Radiation | Monochromator: Si 111 channel / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.10004 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→30 Å / Num. all: 14412 / Num. obs: 13548 / % possible obs: 94 % / Observed criterion σ(I): -3 / Redundancy: 3.2 % / Biso Wilson estimate: 55.9 Å2 / Rsym value: 0.085 / Net I/σ(I): 8.3 |
Reflection shell | Resolution: 2.9→3 Å / Redundancy: 2.6 % / Mean I/σ(I) obs: 2.5 / Num. unique all: 977 / Rsym value: 0.274 / % possible all: 68.1 |
Reflection | *PLUS Lowest resolution: 30 Å / Rmerge(I) obs: 0.085 |
Reflection shell | *PLUS % possible obs: 68.1 % / Rmerge(I) obs: 0.274 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS / Resolution: 2.9→30 Å / Rfactor Rfree error: 0.008 / Data cutoff high absF: 953197.74 / Data cutoff high rms absF: 953197.74 / Data cutoff low absF: 0 / Isotropic thermal model: grouped / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber Details: RESOLUTION-DEPENDENT WEIGHTING SCHEME; BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 49.3457 Å2 / ksol: 0.35 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 53.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.9→30 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: CONSTR | |||||||||||||||||||||||||
LS refinement shell | Resolution: 2.9→3.08 Å / Rfactor Rfree error: 0.037 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS % reflection Rfree: 9 % | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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