2018
DOI: 10.1021/acs.jpcb.8b04231
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Theoretical Model of the Protochlorophyllide Oxidoreductase from a Hierarchy of Protocols

Abstract: The enzyme protochlorophyllide oxidoreductase (LPOR) catalyzes the light-driven reduction of protochlorophyllide (Pchlide), a crucial step in chlorophyll biosynthesis. Molecular understanding of the photocatalytic mechanism of LPOR is essential for harnessing light energy to mediate enzymatic reactions. The absence of X-ray crystal structure has promoted the development of LPOR homology models that lack a catalytically competent active site and could not explain the variously reported spectroscopic evidence, i… Show more

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Cited by 11 publications
(23 citation statements)
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“…Details about EOM modelling, simulations and model validation can be found in the Supplementary Information (see Supplementary Discussion 1.4). Overall, our analyses indicate, that the previously presented Te LPOR core domain models (residues 1–285) 1,10,1317 are insufficient to explain our apoprotein SAXS data. Modelling the missing 31 C-terminal amino acids as protruding α-helix ( Te LPOR-C helix model, Fig.…”
Section: Resultsmentioning
confidence: 54%
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“…Details about EOM modelling, simulations and model validation can be found in the Supplementary Information (see Supplementary Discussion 1.4). Overall, our analyses indicate, that the previously presented Te LPOR core domain models (residues 1–285) 1,10,1317 are insufficient to explain our apoprotein SAXS data. Modelling the missing 31 C-terminal amino acids as protruding α-helix ( Te LPOR-C helix model, Fig.…”
Section: Resultsmentioning
confidence: 54%
“…To probe the role of the C-terminal extension for the structure and activity of Te LPOR, we constructed truncated versions of Te LPOR by introducing a stop codon at three different sites within the C-terminal segment not covered by previous homology modelling studies 14,17 (P272, V279 and A302)(Fig. 5e).…”
Section: Resultsmentioning
confidence: 99%
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“…Three-dimensional models have been built for several LPORs based on their homology to the SDR superfamily members with known structure. These models include the Synechocystis LPOR (SyLPOR) (20), T. elongatus LPOR (TeLPOR) (34,40), and LPOR from the higher plants Pisum sativum (41), Hordeum vulgare (14), and Arabidopsis thaliana (42,43). They have helped in describing the catalytic mechanism of the lightdriven Pchlide reduction, but they lack details, such as the boundary of secondary structure elements, the configuration of the key residues, and the conformation of the C-terminal segment.…”
mentioning
confidence: 99%