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Open data
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Basic information
Entry | Database: PDB / ID: 8bxl | ||||||
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Title | Patulin Synthase from Penicillium expansum | ||||||
![]() | Patulin synthase | ||||||
![]() | FLAVOPROTEIN / Oxidoreductase / GMC-type flavoprotein / Biocatalysis | ||||||
Function / homology | ![]() patulin biosynthetic process / Oxidoreductases; Acting on the CH-OH group of donors / polyketide synthase activity / oxidoreductase activity, acting on CH-OH group of donors / vacuole / extracellular matrix / flavin adenine dinucleotide binding / cell cortex / oxidoreductase activity / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tjallinks, G. / Boverio, A. / Rozeboom, H.J. / Fraaije, M.W. | ||||||
Funding support | 1items
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![]() | ![]() Title: Structure elucidation and characterization of patulin synthase, insights into the formation of a fungal mycotoxin. Authors: Tjallinks, G. / Boverio, A. / Maric, I. / Rozeboom, H. / Arentshorst, M. / Visser, J. / Ram, A.F.J. / Mattevi, A. / Fraaije, M.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 718 KB | Display | ![]() |
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PDB format | ![]() | 588.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 3.7 MB | Display | ![]() |
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Full document | ![]() | 3.7 MB | Display | |
Data in XML | ![]() | 136.4 KB | Display | |
Data in CIF | ![]() | 186.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS ensembles :
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Components
-Protein , 1 types, 6 molecules BCDAFE
#1: Protein | Mass: 68198.242 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: A0A075TRK9, Oxidoreductases; Acting on the CH-OH group of donors |
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-Sugars , 3 types, 30 molecules ![](data/chem/img/NAG.gif)
#2: Polysaccharide | alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source #3: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Source method: isolated from a genetically manipulated source #5: Sugar | ChemComp-NAG / |
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-Non-polymers , 4 types, 1012 molecules ![](data/chem/img/FAD.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-FAD / #6: Chemical | ChemComp-PEG / #7: Chemical | ChemComp-GOL / #8: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.87 Å3/Da / Density % sol: 57.08 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop / Details: Calcium chloride, PEG6000 and sodium acetate pH 5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Jul 26, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9655 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→48.74 Å / Num. obs: 179872 / % possible obs: 100 % / Redundancy: 6.9 % / CC1/2: 0.978 / Rmerge(I) obs: 0.155 / Rpim(I) all: 0.064 / Rrim(I) all: 0.168 / Χ2: 0.81 / Net I/σ(I): 9.5 |
Reflection shell | Resolution: 2.4→2.44 Å / % possible obs: 100 % / Redundancy: 6.8 % / Rmerge(I) obs: 1.113 / Num. measured all: 60753 / Num. unique obs: 8892 / CC1/2: 0.72 / Rpim(I) all: 0.47 / Rrim(I) all: 1.211 / Χ2: 0.48 / Net I/σ(I) obs: 3 |
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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: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 37.378 Å2
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Refinement step | Cycle: 1 / Resolution: 2.4→48.74 Å
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Refine LS restraints |
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