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- PDB-2pae: Structure of a H49N mutant dTDP-4-keto-6-deoxy-D-glucose-3,4-keto... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2pae | ||||||
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Title | Structure of a H49N mutant dTDP-4-keto-6-deoxy-D-glucose-3,4-ketoisomerase from Aneurinibacillus thermoaerophilus in complex with TDP | ||||||
![]() | DTDP-6-deoxy-3,4-keto-hexulose isomerase | ||||||
![]() | ISOMERASE / deoxysugar biosynthesis / S-Layer biosynthesis / ketoisomerase | ||||||
Function / homology | ![]() TDP-4-oxo-6-deoxy-alpha-D-glucose-3,4-oxoisomerase (dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose-forming) / isomerase activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Davis, M.L. / Thoden, J.B. / Holden, H.M. | ||||||
![]() | ![]() Title: The X-ray Structure of dTDP-4-Keto-6-deoxy-D-glucose-3,4-ketoisomerase. Authors: Davis, M.L. / Thoden, J.B. / Holden, H.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 72.8 KB | Display | ![]() |
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PDB format | ![]() | 53.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2pa7SC ![]() 2pakC ![]() 2pamC 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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Unit cell |
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Components
#1: Protein | Mass: 16234.509 Da / Num. of mol.: 2 / Mutation: H49N Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: L420-91T / Gene: fdtA / Plasmid: pET28 / Production host: ![]() ![]() References: UniProt: Q6T1W8, Isomerases; Intramolecular oxidoreductases; Interconverting aldoses and ketoses, and related compounds #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.95 Å3/Da / Density % sol: 58.35 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 18% PEG 8000, 100mM KCl, 100mM HEPPS, 10mM TDP, 20mM fucose, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: Bruker Platinum 135 / Detector: CCD / Date: Mar 12, 2007 / Details: Montel |
Radiation | Monochromator: nickel filter / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→30 Å / Num. all: 14336 / Num. obs: 14336 / % possible obs: 99.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 24.9 % / Rmerge(I) obs: 0.0659 / Rsym value: 0.0659 / Net I/σ(I): 38.8 |
Reflection shell | Resolution: 2.5→2.6 Å / Redundancy: 10.6 % / Rmerge(I) obs: 0.456 / Mean I/σ(I) obs: 5.1 / Num. unique all: 1544 / Rsym value: 0.456 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 2PA7 Resolution: 2.5→30 Å / Isotropic thermal model: overall / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.5→30 Å
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