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- PDB-4ytu: Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4ytu | ||||||
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Title | Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with L-erythrulose | ||||||
![]() | D-tagatose 3-epimerase | ||||||
![]() | ISOMERASE / Epimerase | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Yoshida, H. / Yoshihara, A. / Ishii, T. / Izumori, K. / Kamitori, S. | ||||||
Funding support | ![]()
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![]() | ![]() Title: X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates Authors: Yoshida, H. / Yoshihara, A. / Ishii, T. / Izumori, K. / Kamitori, S. #1: ![]() Title: Crystal structures of D-tagatose 3-epimerase from Pseudomonas cichorii and its complexes with D-tagatose and D-fructose. Authors: Yoshida, H. / Yamada, M. / Nishitani, T. / Takada, G. / Izumori, K. / Kamitori, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 252.4 KB | Display | ![]() |
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PDB format | ![]() | 201.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 476 KB | Display | ![]() |
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Full document | ![]() | 493.4 KB | Display | |
Data in XML | ![]() | 50.9 KB | Display | |
Data in CIF | ![]() | 72.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4xslC ![]() 4xsmC ![]() 4ytqC ![]() 4ytrC ![]() 4ytsC ![]() 4yttC ![]() 5j8lC ![]() 2qulS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 33858.613 Da / Num. of mol.: 4 / Mutation: C66S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: O50580, Isomerases; Intramolecular oxidoreductases; Interconverting aldoses and ketoses, and related compounds #2: Chemical | ChemComp-MN / #3: Sugar | ChemComp-LER / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.52 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.6 / Details: 6-9 % PEG4000, 0.1 M Sodium acetate |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: RIGAKU RAXIS VII / Detector: IMAGE PLATE / Date: Feb 4, 2015 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.2→20.86 Å / Num. obs: 59055 / % possible obs: 96.4 % / Redundancy: 2.93 % / Biso Wilson estimate: 27 Å2 / Rmerge(I) obs: 0.099 / Χ2: 0.99 / Net I/σ(I): 6.5 / Num. measured all: 174269 / Scaling rejects: 1308 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2QUL Resolution: 2.2→20.86 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 2854582 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 56.6959 Å2 / ksol: 0.42 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 76.21 Å2 / Biso mean: 32.3 Å2 / Biso min: 2.05 Å2
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Refine analyze |
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Refinement step | Cycle: final / Resolution: 2.2→20.86 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.28 Å / Rfactor Rfree error: 0.017 / Total num. of bins used: 10
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Xplor file |
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