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Open data
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Basic information
Entry | Database: PDB / ID: 6jtu | ||||||
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Title | Crystal structure of MHETase from Ideonella sakaiensis | ||||||
![]() | Mono(2-hydroxyethyl) terephthalate hydrolase | ||||||
![]() | HYDROLASE | ||||||
Function / homology | ![]() mono(ethylene terephthalate) hydrolase / carboxylic ester hydrolase activity / : / xenobiotic catabolic process / cell outer membrane / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sagong, H.-Y. / Seo, H. / Kim, K.-J. | ||||||
![]() | ![]() Title: Decomposition of PET film by MHETase using Exo-PETase function Authors: Sagong, H.-Y. / Seo, H. / Kim, T. / Son, H. / Joo, S. / Lee, S. / Kim, S. / Woo, J.-S. / Hwang, S. / Kim, K.-J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 329.1 KB | Display | ![]() |
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PDB format | ![]() | 273.9 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 | ![]() | 63.4 KB | Display | |
Data in CIF | ![]() | 92.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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3 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 3 molecules ABC
#1: Protein | Mass: 64178.004 Da / Num. of mol.: 3 / Fragment: feruloyl esterase domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: A0A0K8P8E7, mono(ethylene terephthalate) hydrolase |
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-Non-polymers , 6 types, 737 molecules ![](data/chem/img/CA.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/FMT.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/FMT.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | ChemComp-GOL / #4: Chemical | #5: Chemical | ChemComp-FMT / | #6: Chemical | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.49 Å3/Da / Density % sol: 72.63 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: PEG3350, HEPES, Tacsimate pH 7.0 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Dec 18, 2018 |
Radiation | Monochromator: Double Crystal Monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97934 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→50 Å / Num. obs: 196929 / % possible obs: 97.7 % / Redundancy: 3.5 % / CC1/2: 0.977 / Rpim(I) all: 0.063 / Net I/σ(I): 22.9 |
Reflection shell | Resolution: 2.1→2.14 Å / Num. unique obs: 9385 / CC1/2: 0.861 / Rpim(I) all: 0.175 |
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Processing
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Refinement | Method to determine structure: ![]() Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 105.53 Å2 / Biso mean: 29.49 Å2 / Biso min: 19.12 Å2
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Refinement step | Cycle: final / Resolution: 2.1→33.21 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.102→2.156 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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