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- PDB-1uws: Structure of beta-glycosidase from Sulfolobus solfataricus in com... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1uws | ||||||
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Title | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-glucose | ||||||
![]() | BETA-GALACTOSIDASE | ||||||
![]() | HYDROLASE / GLYCOSIDE HYDROLASE / FAMILY 1 | ||||||
Function / homology | ![]() beta-galactosidase / carbohydrate catabolic process / beta-galactosidase activity / beta-glucosidase activity / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Gloster, T.M. / Roberts, S. / Ducros, V.M.-A. / Perugino, G. / Rossi, M. / Hoos, R. / Moracci, M. / Vasella, A. / Davies, G.J. | ||||||
![]() | ![]() 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. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 222.3 KB | Display | ![]() |
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PDB format | ![]() | 177.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 463.6 KB | Display | ![]() |
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Full document | ![]() | 476 KB | Display | |
Data in XML | ![]() | 43.9 KB | Display | |
Data in CIF | ![]() | 65.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1uwqSC ![]() 1uwrC ![]() 1uwtC ![]() 1uwuC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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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: (-0.94372, -0.03127, -0.32928), Vector: |
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Components
#1: Protein | Mass: 56759.395 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Sugar | #3: Chemical | ChemComp-ACT / | #4: Water | ChemComp-HOH / | Compound details | HYDROLYSIS | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.4 Å3/Da / Density % sol: 63.5 % |
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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 4.60 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Oct 15, 2003 / Details: TOROIDAL MIRROR |
Radiation | Monochromator: DOUBLE CRYSTAL SI(111), SI (311) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 |
Reflection | Resolution: 1.95→30 Å / Num. obs: 112688 / % possible obs: 99.9 % / Redundancy: 6.2 % / Rmerge(I) obs: 0.074 / Net I/σ(I): 17.55 |
Reflection shell | Resolution: 1.95→2.02 Å / Redundancy: 6.2 % / Rmerge(I) obs: 0.339 / Mean I/σ(I) obs: 6.03 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1UWQ Resolution: 1.95→141.42 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.944 / SU B: 3.162 / SU ML: 0.09 / Cross valid method: THROUGHOUT / ESU R: 0.133 / ESU R Free: 0.131 / 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: 32.68 Å2
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Refinement step | Cycle: LAST / Resolution: 1.95→141.42 Å
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Refine LS restraints |
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