Simulation-Guided Engineering Enables a Functional Switch in Selinadiene Synthase toward Hydroxylation

Prabhakar  Srivastava; Sam T Johns; Angus Voice; Katharine  Morley; Andres M Escorcia Cabrera; David J  Miller; Rudolf K. Allemann; Marc W Van der Kamp

doi:10.1021/acscatal.4c02032

Simulation-Guided Engineering Enables a Functional Switch in Selinadiene Synthase toward Hydroxylation

Prabhakar Srivastava, Sam T Johns, Angus Voice, Katharine Morley, Andres M Escorcia Cabrera, David J Miller , Rudolf K. Allemann, Marc W Van der Kamp

School of Biochemistry

Research output: Contribution to journal › Article (Academic Journal) › peer-review

Original language	English
Pages (from-to)	11034-11043
Number of pages	10
Journal	ACS Catalysis
Volume	14
Issue number	14
DOIs	https://doi.org/10.1021/acscatal.4c02032
Publication status	E-pub ahead of print - 9 Jul 2024

Bibliographical note

Publisher Copyright:
© 2024 The Authors. Published by American Chemical Society.

Access to Document

10.1021/acscatal.4c02032

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Persistent link

Engineering Water Capture in Terpene Synthases
Van der Kamp, M. W.
1/07/18 → 30/06/22
Project: Research
Multi-scale enzyme modelling for SynBio: optimizing biocatalysts for selective synthesis of bioactive compounds
Van der Kamp, M. W.
1/12/15 → 31/05/21
Project: Research

HPC (High Performance Computing) and HTC (High Throughput Computing) Facilities
Sadaf R Alam (Manager), Steven A Chapman (Manager), Polly E Eccleston (Other), Simon H Atack (Other) & D A G Williams (Manager)
Facility/equipment: Facility

Cite this

@article{f89ced940ba64c01908acdf40d5f768b,

title = "Simulation-Guided Engineering Enables a Functional Switch in Selinadiene Synthase toward Hydroxylation",

author = "Prabhakar Srivastava and Johns, {Sam T} and Angus Voice and Katharine Morley and {Escorcia Cabrera}, {Andres M} and Miller, {David J} and Allemann, {Rudolf K.} and {Van der Kamp}, {Marc W}",

note = "Publisher Copyright: {\textcopyright} 2024 The Authors. Published by American Chemical Society.",

year = "2024",

month = jul,

day = "9",

doi = "10.1021/acscatal.4c02032",

language = "English",

volume = "14",

pages = "11034--11043",

journal = "ACS Catalysis",

issn = "2155-5435",

publisher = "American Chemical Society",

number = "14",

}

TY - JOUR

T1 - Simulation-Guided Engineering Enables a Functional Switch in Selinadiene Synthase toward Hydroxylation

AU - Srivastava, Prabhakar

AU - Johns, Sam T

AU - Voice, Angus

AU - Morley, Katharine

AU - Escorcia Cabrera, Andres M

AU - Miller , David J

AU - Allemann, Rudolf K.

AU - Van der Kamp, Marc W

PY - 2024/7/9

Y1 - 2024/7/9

U2 - 10.1021/acscatal.4c02032

DO - 10.1021/acscatal.4c02032

M3 - Article (Academic Journal)

C2 - 39050902

SN - 2155-5435

VL - 14

SP - 11034

EP - 11043

JO - ACS Catalysis

JF - ACS Catalysis

IS - 14

ER -

Simulation-Guided Engineering Enables a Functional Switch in Selinadiene Synthase toward Hydroxylation

Bibliographical note

Access to Document

Handle.net

Projects

Engineering Water Capture in Terpene Synthases

Multi-scale enzyme modelling for SynBio: optimizing biocatalysts for selective synthesis of bioactive compounds

Equipment

HPC (High Performance Computing) and HTC (High Throughput Computing) Facilities

Cite this