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Open data
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Basic information
Entry | Database: PDB / ID: 4mop | ||||||
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Title | Pyranose 2-oxidase V546C mutant with 3-fluorinated galactose | ||||||
![]() | Pyranose 2-oxidase | ||||||
![]() | OXIDOREDUCTASE / GMC OXIDOREDUCTASE / PHBH FOLD / HOMOTETRAMER / FAD-BINDING / SUBSTRATE COMPLEX / FLAVINYLATION / INTRACELLULAR | ||||||
Function / homology | ![]() pyranose oxidase / pyranose oxidase activity / flavin adenine dinucleotide binding / periplasmic space Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tan, T.C. / Spadiut, O. / Gandini, R. / Haltrich, D. / Divne, C. | ||||||
![]() | ![]() Title: Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Authors: Tan, T.C. / Spadiut, O. / Gandini, R. / Haltrich, D. / Divne, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 920.5 KB | Display | ![]() |
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PDB format | ![]() | 770.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.1 MB | Display | ![]() |
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Full document | ![]() | 2.1 MB | Display | |
Data in XML | ![]() | 97.2 KB | Display | |
Data in CIF | ![]() | 136.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4moeC ![]() 4mofC ![]() 4mogC ![]() 4mohC ![]() 4moiC ![]() 4mojC ![]() 4mokC ![]() 4molC ![]() 4momC ![]() 4mooC ![]() 4moqC ![]() 4morC ![]() 4mosC 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
-Protein / Sugars , 2 types, 8 molecules ABCD![](data/chem/img/2H5.gif)
![](data/chem/img/2H5.gif)
#1: Protein | Mass: 70558.070 Da / Num. of mol.: 4 / Mutation: V546C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #3: Sugar | ChemComp-2H5 / |
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-Non-polymers , 4 types, 1184 molecules ![](data/chem/img/FDA.gif)
![](data/chem/img/12P.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/12P.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-FDA / #4: Chemical | ChemComp-12P / #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.51 Å3/Da / Density % sol: 51 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.2 Details: 0.1 M MES, 50 mM MgCl2, 10% (w/v) monomethylether PEG 2000, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 3, 2013 Details: Oxford Danfysik/SESO two stage demagnification using two K-B pairs of bimorph type mirrors |
Radiation | Monochromator: ACCEL fixed-exit double-crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9191 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→48.23 Å / Num. all: 123398 / Num. obs: 123398 / % possible obs: 99.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6.1 % / Net I/σ(I): 8.7 |
Reflection shell | Resolution: 2.3→2.4 Å / Redundancy: 6.2 % / Mean I/σ(I) obs: 1.6 / % possible all: 99.6 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 39.2 Å2
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Refinement step | Cycle: LAST / Resolution: 2.3→48.23 Å
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Refine LS restraints |
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