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TitleBiochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Journal, issue, pagesComput Struct Biotechnol J, Vol. 19, Page 1214-1232, Year 2021
Publish dateOct 28, 2020 (structure data deposition date)
AuthorsMiguel-Ruano, V. / Rivera, I. / Rajkovic, J. / Knapik, K. / Torrado, A. / Otero, J.M. / Beneventi, E. / Becerra, M. / Sanchez-Costa, M. / Hidalgo, A. ...Miguel-Ruano, V. / Rivera, I. / Rajkovic, J. / Knapik, K. / Torrado, A. / Otero, J.M. / Beneventi, E. / Becerra, M. / Sanchez-Costa, M. / Hidalgo, A. / Berenguer, J. / Gonzalez-Siso, M.I. / Cruces, J. / Rua, M.L. / Hermoso, J.A.
External linksComput Struct Biotechnol J / PubMed:33680362
MethodsX-ray diffraction
Resolution1.2 - 2.28 Å
Structure data

PDB-7at0:
Structure of the Hormone-Sensitive Lipase like EstD11
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-7at2:
Crystal structure of inactive EstD11 S144A
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-7at3:
Structure of EstD11 in complex with Naproxen and methanol
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-7at4:
Structure of EstD11 in complex with Naproxen
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-7atd:
Structure of inactive EstD11 S144A in complex with methyl-naproxen
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-7atf:
Structure of EstD11 in complex with p-Nitrophenol
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-7atq:
Structure of EstD11 in complex with cyclohexane carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7auy:
Structure of EstD11 in complex with Fluorescein
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-7av5:
Structure of EstD11 in complex with Fluorescein
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-7nb5:
Structure of EstD11 S144A in complex with naproxen p-nitrophenol ester
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

Chemicals

ChemComp-FMT:
FORMIC ACID

ChemComp-IPH:
PHENOL

ChemComp-HOH:
WATER

ChemComp-NPX:
(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid

ChemComp-MOH:
METHANOL

ChemComp-ACT:
ACETATE ION

ChemComp-RXH:
Naproxen Methyl Ester

ChemComp-NPO:
P-NITROPHENOL

ChemComp-RXK:
cyclohexanecarboxylic acid

ChemComp-FDS:
FLUORESCIN

ChemComp-U68:
(4-nitrophenyl) (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate

Source
  • uncultured bacterium (environmental samples)
KeywordsHYDROLASE / Esterase Hormone-Sensitive Lipase Metagenome library Crystal structure

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