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Open data
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Basic information
Entry | Database: PDB / ID: 6jtt | ||||||
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Title | MHETase in complex with BHET | ||||||
![]() | 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 | ![]() | 321.8 KB | Display | ![]() |
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PDB format | ![]() | 268 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-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
#1: Protein | Mass: 65249.172 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 #2: Chemical | #3: Chemical | #4: Chemical | ChemComp-C8X / | #5: Water | ChemComp-HOH / | Nonpolymer details | C9C has a betahydroxy-covalent intermediate state with Serine225. | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.44 Å3/Da / Density % sol: 72.27 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 / 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: Mar 12, 2019 |
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: 2.5→33.21 Å / Num. obs: 114235 / % possible obs: 98.2 % / Redundancy: 2.1 % / CC1/2: 0.982 / Rmerge(I) obs: 0.086 / Net I/σ(I): 15.75 |
Reflection shell | Resolution: 2.5→2.54 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.308 / Num. unique obs: 5710 / CC1/2: 0.867 / % possible all: 98 |
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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: 101.38 Å2 / Biso mean: 26.538 Å2 / Biso min: 9.33 Å2
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Refinement step | Cycle: final / Resolution: 2.51→33.21 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.507→2.572 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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