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- PDB-6jhh: Crystal structure of mutant D350A of Pullulanase from Paenibacill... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6jhh | ||||||||||||
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Title | Crystal structure of mutant D350A of Pullulanase from Paenibacillus barengoltzii complexed with maltotriose | ||||||||||||
![]() | Pulullanase | ||||||||||||
![]() | HYDROLASE / GH13 / Pullulanase / maltotriose | ||||||||||||
Function / homology | ![]() pullulanase / pullulanase activity / carbohydrate metabolic process / metal ion binding Similarity search - Function | ||||||||||||
Biological species | ![]() | ||||||||||||
Method | ![]() ![]() ![]() | ||||||||||||
![]() | Wu, S.W. / Yang, S.Q. / Qin, Z. / You, X. / Huang, P. / Jiang, Z.Q. | ||||||||||||
![]() | ![]() Title: Crystal structure of mutant D350A of Pullulanase from Paenibacillus barengoltzii complexed with maltotriose Authors: Wu, S.W. / Yang, S.Q. / Qin, Z. / You, X. / Huang, P. / Jiang, Z.Q. | ||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 159.8 KB | Display | ![]() |
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PDB format | ![]() | 121.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.5 MB | Display | ![]() |
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Full document | ![]() | 2.5 MB | Display | |
Data in XML | ![]() | 29.6 KB | Display | |
Data in CIF | ![]() | 45.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2e8yS 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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Unit cell |
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Components
#1: Protein | Mass: 75139.602 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: Residues 1-13 (MLSVQKEFHGTID) and 638-657 (GASGEAAAAAPAAAGGPPAG) had low-level electron density and were not included in the model. Source: (gene. exp.) ![]() Production host: ![]() ![]() References: UniProt: A0A0C5GWS2, pullulanase | ||||
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#2: Polysaccharide | #3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.63 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.08M calcium chloride, 0.1M MES, 22% PEG 3350, 0.7% beta-OG, pH 6.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Ambient temp details: 90-100 / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Sep 21, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97776 Å / Relative weight: 1 |
Reflection | Resolution: 2.025→50 Å / Num. obs: 40754 / % possible obs: 99.5 % / Redundancy: 6.5 % / Rmerge(I) obs: 0.106 / Net I/σ(I): 16.3 |
Reflection shell | Resolution: 2.025→2.07 Å / Redundancy: 5.3 % / Rmerge(I) obs: 0.499 / Mean I/σ(I) obs: 3.33 / Num. unique obs: 2298 / % possible all: 98.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2E8Y Resolution: 2.025→46.802 Å / SU ML: 0.24 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.26 Details: SF FILE CONTAINS FRIEDEL PAIRS UNDER I/F_MINUS AND I/F_PLUS COLUMNS.
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.025→46.802 Å
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Refine LS restraints |
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LS refinement shell |
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