Structural insights into thebaine synthase 2 catalysis.

Crystallography, X-Ray Ligases / chemistry Models, Molecular Papaver / chemistry Plant Proteins / chemistry Protein Conformation Quantum Theory Thebaine / metabolism
Analgesic Crystal structure Morphine biosynthesis Thebaine synthase

Journal

Biochemical and biophysical research communications
ISSN: 1090-2104
Titre abrégé: Biochem Biophys Res Commun
Pays: United States
ID NLM: 0372516

Informations de publication

Date de publication:
20 08 2020
Historique:
received: 19 05 2020
accepted: 26 05 2020
entrez: 25 7 2020
pubmed: 25 7 2020
medline: 11 2 2021
Statut: ppublish

Résumé

Thebaine synthase 2 (THS2) that can transform (7S)-salutaridinol 7-O-acetate to thebaine catalyzes the final step of thebaine biosynthesis in Papaver somniferum. Here, the crystal structures of THS2 and its complex with thebaine are reported, revealing the interaction network in the substrate-binding pocket. Subsequent docking and QM/MM studies was performed to further explore the catalytic mechanism of THS2. Our results suggest that T105 may abstract the proton of C4-OH from the substrate under the assistance of H89. The resulting C4-O

Identifiants

DOI: 10.1016/j.bbrc.2020.05.199 PMID: 32703404
pubmed: 32703404
pii: S0006-291X(20)31146-3
doi: 10.1016/j.bbrc.2020.05.199
pii:
doi:

Substances chimiques

Plant Proteins 0
Thebaine 2P9MKG8GX7
Ligases EC 6.-

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

156-161

Informations de copyright

Copyright © 2020 Elsevier Inc. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of competing interest The authors declare no conflict of interest.

Auteurs

Chun-Chi Chen (CC)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China.

Jing Xue (J)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China.

Wei Peng (W)

State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 360015, PR China.

Binju Wang (B)

State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 360015, PR China.

Lilan Zhang (L)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China.

Weidong Liu (W)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China.

Tzu-Ping Ko (TP)

Institute of Biological Chemistry, Academia Sinica, Taipei, 11529, Taiwan.

Jian-Wen Huang (JW)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China.

Shuyu Zhou (S)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China.

Jian Min (J)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China.

Lixin Ma (L)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China.

Longhai Dai (L)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China. Electronic address: dailonghai@hubu.edu.cn.

Rey-Ting Guo (RT)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China. Electronic address: guoreyting@hubu.edu.cn.

Xuejing Yu (X)

State Key Laboratory of Biocatalysis and Enzyme Engineering, Hubei Collaborative Innovation Center for Green Transformation of Bio-Resources, Hubei Key Laboratory of Industrial Biotechnology, School of Life Sciences, Hubei University, Wuhan, 430062, PR China. Electronic address: xuejing.yu@hubu.edu.cn.

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Classifications MeSH

questionsmedicales.fr › Techniques d'investigation › Techniques de chimie analytique › Cristallographie aux rayons X › Structural insights into thebaine synthase 2 catalysis.
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Ligases › Structural insights into thebaine synthase 2 catalysis.
questionsmedicales.fr › Techniques d'investigation › Modèles théoriques › Modèles moléculaires › Structural insights into thebaine synthase 2 catalysis.
questionsmedicales.fr › Eucaryotes › Viridiplantae › Streptophyta › Embryophyta › Tracheobionta › Magnoliopsida › Ranunculales › Papaveraceae › Papaver › Structural insights into thebaine synthase 2 catalysis.
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines végétales › Structural insights into thebaine synthase 2 catalysis.
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Conformation moléculaire › Conformation des protéines › Structural insights into thebaine synthase 2 catalysis.
questionsmedicales.fr › Disciplines des sciences naturelles › Physique › Physique nucléaire › Théorie quantique › Structural insights into thebaine synthase 2 catalysis.
questionsmedicales.fr › Composés polycycliques › Hydrocarbures aromatiques polycycliques › Phénanthrènes › Morphinanes › Dérivés de la morphine › Thébaïne › Structural insights into thebaine synthase 2 catalysis.