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Yorodumi- PDB-3aki: Crystal structure of exo-1,5-alpha-L-arabinofuranosidase complexe... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3aki | ||||||
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Title | Crystal structure of exo-1,5-alpha-L-arabinofuranosidase complexed with alpha-L-arabinofuranosyl azido | ||||||
Components | Putative secreted alpha L-arabinofuranosidase II | ||||||
Keywords | HYDROLASE / FIVE-BLADED BETA PROPELLER / BETA-TREFOIL | ||||||
Function / homology | Function and homology information arabinan catabolic process / L-arabinose metabolic process / non-reducing end alpha-L-arabinofuranosidase / alpha-L-arabinofuranosidase activity / extracellular region Similarity search - Function | ||||||
Biological species | Streptomyces avermitilis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Fujimoto, Z. / Ichinose, H. / Kaneko, S. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2010 Title: Crystal Structure of an Exo-1,5-{alpha}-L-arabinofuranosidase from Streptomyces avermitilis Provides Insights into the Mechanism of Substrate Discrimination between Exo- and Endo-type Enzymes ...Title: Crystal Structure of an Exo-1,5-{alpha}-L-arabinofuranosidase from Streptomyces avermitilis Provides Insights into the Mechanism of Substrate Discrimination between Exo- and Endo-type Enzymes in Glycoside Hydrolase Family 43. Authors: Fujimoto, Z. / Ichinose, H. / Maehara, T. / Honda, M. / Kitaoka, M. / Kaneko, S. #1: Journal: Acta Crystallogr.,Sect.F / Year: 2008 Title: Crystallization and preliminary crystallographic analysis of exo-alpha-1,5-L-arabinofuranosidase from Streptomyces avermitilis NBRC14893. Authors: Fujimoto, Z. / Ichinose, H. / Kaneko, S. #2: Journal: Appl.Microbiol.Biotechnol. / Year: 2008 Title: Characterization of a modular enzyme of exo-1,5-alpha-L-arabinofuranosidase and arabinan binding module from Streptomyces avermitilis NBRC14893. Authors: Ichinose, H. / Yoshida, M. / Fujimoto, Z. / Kaneko, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3aki.cif.gz | 109 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3aki.ent.gz | 81.4 KB | Display | PDB format |
PDBx/mmJSON format | 3aki.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3aki_validation.pdf.gz | 457.2 KB | Display | wwPDB validaton report |
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Full document | 3aki_full_validation.pdf.gz | 458 KB | Display | |
Data in XML | 3aki_validation.xml.gz | 19.8 KB | Display | |
Data in CIF | 3aki_validation.cif.gz | 29.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ak/3aki ftp://data.pdbj.org/pub/pdb/validation_reports/ak/3aki | HTTPS FTP |
-Related structure data
Related structure data | 3akfC 3akgC 3akhSC 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 / Sugars , 2 types, 5 molecules A
#1: Protein | Mass: 51937.340 Da / Num. of mol.: 1 / Fragment: UNP RESIDUES 28-481 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces avermitilis (bacteria) / Strain: MA-4680 / Gene: abfA, SAV1043, SAV_1043 / Plasmid: pET30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 Gold (DE3) References: UniProt: Q82P90, non-reducing end alpha-L-arabinofuranosidase |
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#4: Sugar | ChemComp-AH8 / ( |
-Non-polymers , 4 types, 236 molecules
#2: Chemical | ChemComp-CL / |
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#3: Chemical | ChemComp-NA / |
#5: Chemical | ChemComp-GOL / |
#6: 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: 2.4 Å3/Da / Density % sol: 48.74 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.8M sodium citrate, 0.2M sodium chloride, 0.1M Tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL41XU / Wavelength: 0.97915 Å |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Jun 15, 2008 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97915 Å / Relative weight: 1 |
Reflection | Resolution: 2→74.79 Å / Num. obs: 34964 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 8.8 % / Biso Wilson estimate: 28.4 Å2 / Rmerge(I) obs: 0.074 / Rsym value: 0.074 / Net I/σ(I): 38.1 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 8.5 % / Rmerge(I) obs: 0.281 / Mean I/σ(I) obs: 7.5 / Num. unique all: 3416 / Rsym value: 0.281 / % possible all: 99.3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3AKH Resolution: 2→74.79 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.947 / SU B: 4.258 / SU ML: 0.118 / Cross valid method: THROUGHOUT / ESU R Free: 0.16 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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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: 35.295 Å2
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Refine analyze | Luzzati coordinate error obs: 0.0644 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→74.79 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.052 Å / Total num. of bins used: 20
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