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- PDB-3wqw: Crystal structure of Ostrinia furnacalis Group I chitinase cataly... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3wqw | |||||||||
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Title | Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with a(GlcN)6 | |||||||||
![]() | Chitinase | |||||||||
![]() | HYDROLASE / family-18 chitinases / inhibition / deacetylated chitooligosaccharides | |||||||||
Function / homology | ![]() chitinase / chitinase activity / chitin catabolic process / chitin binding / carbohydrate metabolic process / extracellular region Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Chen, L. / Zhou, Y. / Yang, Q. | |||||||||
![]() | ![]() Title: Fully deacetylated chitooligosaccharides act as efficient glycoside hydrolase family 18 chitinase inhibitors. Authors: Chen, L. / Zhou, Y. / Qu, M. / Zhao, Y. / Yang, 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 | ![]() | 194.1 KB | Display | ![]() |
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PDB format | ![]() | 152.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 711.3 KB | Display | ![]() |
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Full document | ![]() | 713.5 KB | Display | |
Data in XML | ![]() | 21.8 KB | Display | |
Data in CIF | ![]() | 33.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3wqvC ![]() 3w4rS 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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Unit cell |
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Components
#1: Protein | Mass: 44995.613 Da / Num. of mol.: 1 / Fragment: UNP RESIDUES 19-407 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() | ||||
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#2: Polysaccharide | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2- ...2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source | ||||
#3: Sugar | #4: Chemical | ChemComp-EPE / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.48 Å3/Da / Density % sol: 64.7 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 100mM HEPES pH 7.5, 25% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 3, 2013 |
Radiation | Monochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. all: 41613 / Num. obs: 41593 / % possible obs: 100 % / Redundancy: 13.9 % / Biso Wilson estimate: 22.68 Å2 / Rmerge(I) obs: 0.11 / Rsym value: 0.11 / Net I/σ(I): 18.67 |
Reflection shell | Resolution: 2→2.03 Å / Redundancy: 13.9 % / Rmerge(I) obs: 0.231 / Mean I/σ(I) obs: 8.98 / Num. unique all: 2059 / Rsym value: 0.231 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3W4R Resolution: 2→30.84 Å / SU ML: 0.14 / σ(F): 1.38 / Phase error: 14.76 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→30.84 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14
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Refinement TLS params. | Method: refined / Origin x: -41.2684 Å / Origin y: 19.5161 Å / Origin z: 5.4732 Å
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Refinement TLS group | Selection details: ALL |