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Structure paper

TitleMultiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Journal, issue, pagesAcs Catalysis, Vol. 12, Page 9790-9800, Year 2022
Publish dateAug 25, 2020 (structure data deposition date)
AuthorsPfaff, L. / Gao, J. / Li, Z. / Jackering, A. / Weber, G. / Mican, J. / Chen, Y. / Dong, W. / Han, X. / Feiler, C.G. ...Pfaff, L. / Gao, J. / Li, Z. / Jackering, A. / Weber, G. / Mican, J. / Chen, Y. / Dong, W. / Han, X. / Feiler, C.G. / Ao, Y.F. / Badenhorst, C.P.S. / Bednar, D. / Palm, G.J. / Lammers, M. / Damborsky, J. / Strodel, B. / Liu, W. / Bornscheuer, U.T. / Wei, R.
External linksAcs Catalysis / PubMed:35966606
MethodsX-ray diffraction
Resolution1.38 - 2.3 Å
Structure data

PDB-7cuv:
Crystal structure of a novel alpha/beta hydrolase in apo form
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-7e30:
Crystal structure of a novel alpha/beta hydrolase in apo form in complex with citrate
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-7e31:
Crystal structure of a novel alpha/beta hydrolase mutant in apo form
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-7w66:
Crystal structure of a PSH1 mutant in complex with ligand
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-7w69:
Crystal structure of a PSH1 mutant in complex with EDO
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-7w6c:
Crystal structure of a PSH1 in complex with ligand J1K
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7w6o:
Crystal structure of a PSH1 in complex with J1K
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-7w6q:
Crystal structure of a PSH1 in complex with ligand J1K
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-CIT:
CITRIC ACID

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-C8X:
bis(2-hydroxyethyl) benzene-1,4-dicarboxylate

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-J1K:
4-(2-hydroxyethylcarbamoyl)benzoic acid

Source
  • synthetic construct (others)
  • unidentified (others)
KeywordsHYDROLASE / alpha/beta dehydrogenase / plastic degradation / thermo-stable

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