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Yorodumi- PDB-1uwr: Structure of beta-glycosidase from Sulfolobus solfataricus in com... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1uwr | ||||||
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Title | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-galactose | ||||||
Components | BETA-GALACTOSIDASE | ||||||
Keywords | HYDROLASE / GLYCOSIDE HYDROLASE / FAMILY 1 / 2-DEOXY-2-FLUORO-GALACTOSE HYDROLASE / ARCHAEON | ||||||
Function / homology | Function and homology information beta-galactosidase / beta-galactosidase activity / beta-glucosidase activity / carbohydrate metabolic process Similarity search - Function | ||||||
Biological species | SULFOLOBUS SOLFATARICUS (archaea) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.14 Å | ||||||
Authors | Gloster, T.M. / Roberts, S. / Ducros, V.M.-A. / Perugino, G. / Rossi, M. / Hoos, R. / Moracci, M. / Vasella, A. / Davies, G.J. | ||||||
Citation | Journal: Biochemistry / Year: 2004 Title: Structural Studies of the Beta-Glycosidase from Sulfolobus Solfataricus in Complex with Covalently and Noncovalently Bound Inhibitors. Authors: Gloster, T.M. / Roberts, S. / Ducros, V.M. / Perugino, G. / Rossi, M. / Hoos, R. / Moracci, M. / Vasella, A. / Davies, G.J. | ||||||
History |
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Remark 700 | SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 9-STRANDED BARREL THIS IS REPRESENTED BY A 10-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 9-STRANDED BARREL THIS IS REPRESENTED BY A 10-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1uwr.cif.gz | 218.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1uwr.ent.gz | 174.7 KB | Display | PDB format |
PDBx/mmJSON format | 1uwr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1uwr_validation.pdf.gz | 465.7 KB | Display | wwPDB validaton report |
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Full document | 1uwr_full_validation.pdf.gz | 477.8 KB | Display | |
Data in XML | 1uwr_validation.xml.gz | 42.3 KB | Display | |
Data in CIF | 1uwr_validation.cif.gz | 62.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uw/1uwr ftp://data.pdbj.org/pub/pdb/validation_reports/uw/1uwr | HTTPS FTP |
-Related structure data
Related structure data | 1uwqSC 1uwsC 1uwtC 1uwuC 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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: HIS / End label comp-ID: HIS / Refine code: 3 / Auth seq-ID: 1 - 489 / Label seq-ID: 1 - 489
NCS oper: (Code: given Matrix: (-0.94239, 0.03327, -0.33287), Vector: |
-Components
#1: Protein | Mass: 56759.395 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) SULFOLOBUS SOLFATARICUS (archaea) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P22498, beta-galactosidase #2: Sugar | #3: Chemical | ChemComp-ACT / | #4: Water | ChemComp-HOH / | Has protein modification | Y | |
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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: 3.4 Å3/Da / Density % sol: 63.5 % / Description: STRUCTURE ISOMORPHOUS WITH STARTING MODEL |
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Crystal grow | pH: 4.6 Details: 11-14% PEG 4K 0.1 M NA ACETATE, 0.2 M AMMONIUM ACETATE. CRYO - 25% ETHYLENE GLYCOL, 10-13 MG/ML PROTEIN, pH 4.6 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.9762 |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: May 15, 2003 / Details: TOROIDAL MIRROR |
Radiation | Monochromator: SI (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9762 Å / Relative weight: 1 |
Reflection | Resolution: 2.15→30 Å / Num. obs: 85809 / % possible obs: 99.9 % / Redundancy: 5.89 % / Rmerge(I) obs: 0.117 / Net I/σ(I): 10.1 |
Reflection shell | Resolution: 2.15→2.23 Å / Redundancy: 5.86 % / Rmerge(I) obs: 0.455 / Mean I/σ(I) obs: 2.82 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1UWQ Resolution: 2.14→141.42 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.943 / SU B: 4.82 / SU ML: 0.122 / Cross valid method: THROUGHOUT / ESU R: 0.177 / ESU R Free: 0.164 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: RESIDUES OMITTED DUE TO POOR OR MISSING DENSITY
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 41.05 Å2
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Refinement step | Cycle: LAST / Resolution: 2.14→141.42 Å
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Refine LS restraints |
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