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Yorodumi- PDB-3ogr: Complex structure of beta-galactosidase from Trichoderma reesei w... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3ogr | |||||||||
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Title | Complex structure of beta-galactosidase from Trichoderma reesei with galactose | |||||||||
Components | Beta-galactosidase | |||||||||
Keywords | HYDROLASE / TIM barrel domain / Glycoside hydrolase / Family 35 / Glycoprotein | |||||||||
Function / homology | Function and homology information beta-galactosidase / vacuole / beta-galactosidase activity / carbohydrate metabolic process Similarity search - Function | |||||||||
Biological species | Trichoderma reesei (fungus) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.5 Å | |||||||||
Authors | Maksimainen, M. / Rouvinen, J. | |||||||||
Citation | Journal: J.Struct.Biol. / Year: 2011 Title: Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site Authors: Maksimainen, M. / Hakulinen, N. / Kallio, J.M. / Timoharju, T. / Turunen, O. / Rouvinen, J. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3ogr.cif.gz | 237.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3ogr.ent.gz | 182.4 KB | Display | PDB format |
PDBx/mmJSON format | 3ogr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3ogr_validation.pdf.gz | 1.5 MB | Display | wwPDB validaton report |
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Full document | 3ogr_full_validation.pdf.gz | 1.5 MB | Display | |
Data in XML | 3ogr_validation.xml.gz | 46.6 KB | Display | |
Data in CIF | 3ogr_validation.cif.gz | 73.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/og/3ogr ftp://data.pdbj.org/pub/pdb/validation_reports/og/3ogr | HTTPS FTP |
-Related structure data
Related structure data | 3og2SC 3ogsC 3ogvC S: Starting model for refinement C: citing same article (ref.) |
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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 / Non-polymers , 2 types, 1032 molecules A
#1: Protein | Mass: 109395.727 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Trichoderma reesei (fungus) / References: UniProt: Q70SY0, beta-galactosidase |
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#7: Water | ChemComp-HOH / |
-Sugars , 5 types, 6 molecules
#2: Polysaccharide | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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 |
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#3: Polysaccharide | alpha-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D- ...alpha-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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 |
#4: 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 |
#5: Sugar | ChemComp-GAL / |
#6: Sugar |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.85 Å3/Da / Density % sol: 56.91 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 8% PEG 8000, 0.1M sodium cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X12 / Wavelength: 1 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 24, 2008 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→20 Å / Num. all: 194058 / Num. obs: 179614 / % possible obs: 92.6 % / Observed criterion σ(I): 3.43 |
Reflection shell | Resolution: 1.5→1.6 Å / % possible all: 92.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3OG2 Resolution: 1.5→19.78 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.963 / SU B: 2.119 / SU ML: 0.035 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.062 / ESU R Free: 0.059 / 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: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.874 Å2
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Refinement step | Cycle: LAST / Resolution: 1.5→19.78 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.5→1.539 Å / Total num. of bins used: 20
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