Essential Functional Interplay of the Catalytic Groups in Acid Phosphatase

Martin Pfeiffer; Rory M. Crean; Catia Moreira; Antonietta Parracino; Gustav Oberdorfer; Lothar Brecker; Friedrich Hammerschmidt; Shina Caroline Lynn Kamerlin; Bernd Nidetzky

doi:10.1021/acscatal.1c05656

Essential Functional Interplay of the Catalytic Groups in Acid Phosphatase

Martin Pfeiffer
, Rory M. Crean
, Catia Moreira
, Antonietta Parracino
, Gustav Oberdorfer
, Lothar Brecker
, Friedrich Hammerschmidt
, Shina Caroline Lynn Kamerlin (Corresponding author)
, Bernd Nidetzky (Corresponding author)

Department of Organic Chemistry

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Pages (from-to)	3357-3370
Number of pages	14
Journal	ACS Catalysis
Volume	12
Issue number	6
DOIs	https://doi.org/10.1021/acscatal.1c05656
Publication status	Published - 18 Mar 2022

Funding

This work was funded by the Austrian Science Funds (FWF, DK Molecular Enzymology W9), the Carl Tryggers Foundation for Scientific Research (CTS 19:172), the Swedish Research Council (VR, 2019-03499), and the Knut and Alice Wallenberg Foundation (2018.0140 and 2019.0431). The computational work was enabled by resources provided by the Swedish National Infrastructure for Computing (SNIC), partially funded by the Swedish Research Council through grant agreement no. 2018-05973. Open Access is funded by the Austrian Science Fund (FWF).

Austrian Fields of Science 2012

104015 Organic chemistry
104008 Catalysis

Keywords

functional cooperativity
enzyme catalysis
EVB simulations
linear free-energy relationship
nucleophilic catalysis
phosphate transfer
PROTEIN-TYROSINE-PHOSPHATASE
COLI ALKALINE-PHOSPHATASE
SITE-DIRECTED MUTAGENESIS
PHOSPHORYL-TRANSFER
TRANSITION-STATE
BETA-PHOSPHOGLUCOMUTASE
ACTIVE-SITE
STEREOCHEMICAL COURSE
FREE-ENERGY
ENZYME

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10.1021/acscatal.1c05656

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title = "Essential Functional Interplay of the Catalytic Groups in Acid Phosphatase",

keywords = "functional cooperativity, enzyme catalysis, EVB simulations, linear free-energy relationship, nucleophilic catalysis, phosphate transfer, PROTEIN-TYROSINE-PHOSPHATASE, COLI ALKALINE-PHOSPHATASE, SITE-DIRECTED MUTAGENESIS, PHOSPHORYL-TRANSFER, TRANSITION-STATE, BETA-PHOSPHOGLUCOMUTASE, ACTIVE-SITE, STEREOCHEMICAL COURSE, FREE-ENERGY, ENZYME",

author = "Martin Pfeiffer and Crean, \{Rory M.\} and Catia Moreira and Antonietta Parracino and Gustav Oberdorfer and Lothar Brecker and Friedrich Hammerschmidt and Kamerlin, \{Shina Caroline Lynn\} and Bernd Nidetzky",

note = "Publisher Copyright: {\textcopyright} 2022 The Authors. Published by American Chemical Society.",

year = "2022",

month = mar,

day = "18",

doi = "10.1021/acscatal.1c05656",

language = "English",

volume = "12",

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T1 - Essential Functional Interplay of the Catalytic Groups in Acid Phosphatase

AU - Pfeiffer, Martin

AU - Crean, Rory M.

AU - Moreira, Catia

AU - Parracino, Antonietta

AU - Oberdorfer, Gustav

AU - Brecker, Lothar

AU - Hammerschmidt, Friedrich

AU - Kamerlin, Shina Caroline Lynn

AU - Nidetzky, Bernd

PY - 2022/3/18

Y1 - 2022/3/18

KW - functional cooperativity

KW - enzyme catalysis

KW - EVB simulations

KW - linear free-energy relationship

KW - nucleophilic catalysis

KW - phosphate transfer

KW - PROTEIN-TYROSINE-PHOSPHATASE

KW - COLI ALKALINE-PHOSPHATASE

KW - SITE-DIRECTED MUTAGENESIS

KW - PHOSPHORYL-TRANSFER

KW - TRANSITION-STATE

KW - BETA-PHOSPHOGLUCOMUTASE

KW - ACTIVE-SITE

KW - STEREOCHEMICAL COURSE

KW - FREE-ENERGY

KW - ENZYME

UR - https://www.scopus.com/pages/publications/85126083995

U2 - 10.1021/acscatal.1c05656

DO - 10.1021/acscatal.1c05656

M3 - Article

SN - 2155-5435

VL - 12

SP - 3357

EP - 3370

JO - ACS Catalysis

JF - ACS Catalysis

IS - 6

ER -

Essential Functional Interplay of the Catalytic Groups in Acid Phosphatase

Funding

Austrian Fields of Science 2012

Keywords

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