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Yorodumi- PDB-2pwg: Crystal Structure of the Trehalulose Synthase MutB From Pseudomon... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2pwg | ||||||
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Title | Crystal Structure of the Trehalulose Synthase MutB From Pseudomonas Mesoacidophila MX-45 Complexed to the Inhibitor Castanospermine | ||||||
Components | Sucrose isomerase | ||||||
Keywords | ISOMERASE / TREHALULOSE SYNTHASE / SUCROSE ISOMERASE / ALPHA-AMYLASE FAMILY / (BETA/ALPHA)8 BARREL / ENZYME INHIBITOR COMPLEX | ||||||
Function / homology | Function and homology information glucan 1,4-alpha-maltotriohydrolase activity / oligo-1,6-glucosidase activity / sucrose alpha-glucosidase activity / sucrose catabolic process / maltose catabolic process / maltose alpha-glucosidase activity / amino acid transport / alpha-amylase activity / isomerase activity / metal ion binding Similarity search - Function | ||||||
Biological species | Pseudomonas mesoacidophila (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.2 Å | ||||||
Authors | Ravaud, S. / Robert, X. / Haser, R. / Aghajari, N. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2007 Title: Trehalulose synthase native and carbohydrate complexed structures provide insights into sucrose isomerization. Authors: Ravaud, S. / Robert, X. / Watzlawick, H. / Haser, R. / Mattes, R. / Aghajari, N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2pwg.cif.gz | 264.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2pwg.ent.gz | 210.1 KB | Display | PDB format |
PDBx/mmJSON format | 2pwg.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/pw/2pwg ftp://data.pdbj.org/pub/pdb/validation_reports/pw/2pwg | HTTPS FTP |
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-Related structure data
Related structure data | 1zjaC 2pwdC 2pweC 2pwfC 2pwhC 1zjbS 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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2 |
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Unit cell |
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Details | The second part of the biological assembly is generated by -X,1/2+Y,-Z |
-Components
#1: Protein | Mass: 63809.672 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas mesoacidophila (bacteria) / Strain: MX-45 / Gene: mutB / Plasmid: PHWG315 / Production host: Escherichia coli (E. coli) / Strain (production host): JM109 / References: UniProt: Q2PS28, isomaltulose synthase #2: Chemical | #3: Chemical | #4: 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: 2.64 Å3/Da / Density % sol: 53.35 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 13% PEG20000, 0.1M Na cacodylate, 0.01M L-cysteine, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM30A / Wavelength: 0.9803 Å |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Jun 1, 2005 / Details: mirrors |
Radiation | Monochromator: mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9803 Å / Relative weight: 1 |
Reflection | Resolution: 2→19.9 Å / Num. all: 67348 / Num. obs: 67348 / Observed criterion σ(I): 1 / Redundancy: 3.8 % / Biso Wilson estimate: 12.2 Å2 / Rsym value: 0.103 / Net I/σ(I): 0.102 |
Reflection shell | Resolution: 2.2→2.3 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.413 / Mean I/σ(I) obs: 3.89 / Rsym value: 0.353 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS Starting model: 1ZJB Resolution: 2.2→19.91 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 3028130.42 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 50.4866 Å2 / ksol: 0.343499 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.2→19.91 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.34 Å / Rfactor Rfree error: 0.009 / Total num. of bins used: 6
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Xplor file |
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