The Binding Mechanism Between Inositol Phosphate (InsP) and the Jasmonate Receptor Complex: A Computational Study
Mengqi Cui1, Juan Du1, XiaoJun Yao2
1Shandong Province Key Laboratory of Applied Mycology, College of Life Science, Qingdao Agricultural University, Qingdao, China.
Frontiers in Plant Science
|August 4, 2018
Summary
Inositol phosphate (InsP) binding compacts the jasmonate receptor component COI1, stabilizing its structure. This InsP interaction enhances the binding of JA-Ile and JAZ proteins, crucial for plant stress response.
Area of Science:
- Plant Biology
- Molecular Plant Physiology
- Biochemistry
Background:
- Jasmonates are vital plant hormones regulating stress responses, growth, and development.
- The jasmonate receptor complex involves Arabidopsis SKP-LIKE PROTEIN1 (ASK1), CORONATINE INSENSITIVE 1 (COI1), inositol phosphate (InsP), and jasmonate ZIM-domain protein (JAZ).
- CORONATINE INSENSITIVE 1 (COI1) functions as a signaling hub, but the precise roles and structural impacts of inositol phosphate (InsP) binding are unclear.
Purpose of the Study:
- To investigate the effect of inositol phosphate (InsP) on the dynamic behavior of CORONATINE INSENSITIVE 1 (COI1).
- To elucidate the recognition mechanism of jasmonate receptor complex components upon inositol phosphate (InsP) binding.
- To understand the structural changes in CORONATINE INSENSITIVE 1 (COI1) when bound to inositol phosphate (InsP), JA-Ile, and jasmonate ZIM-domain protein (JAZ).
Main Methods:
- Integration of computational methods including molecular docking and molecular dynamics simulations.
- Application of residue interaction network analysis to study protein dynamics.
- Utilizing binding free energy calculations to quantify interaction strengths.
Main Results:
- Inositol phosphate (InsP) binding, along with JA-Ile and JAZ1, leads to a more compact structure of CORONATINE INSENSITIVE 1 (COI1).
- Inositol phosphate (InsP) binding stabilizes CORONATINE INSENSITIVE 1 (COI1) conformation, promoting its interaction with JA-Ile or JAZ1.
- Identification of key hub residues (Met88, His118, Arg120, Arg121, Arg346, Tyr382, Arg409, Trp467, Lys492) within the interaction network.
Conclusions:
- Inositol phosphate (InsP) plays a significant role in stabilizing the CORONATINE INSENSITIVE 1 (COI1) structure within the jasmonate receptor complex.
- The findings provide crucial structural and dynamic insights into the jasmonate signaling pathway.
- This study facilitates the discovery and design of novel modulators for the jasmonate signaling pathway.
Keywords:
Inositol phosphate (InsP)binding mechanismjasmonate receptormolecular dockingmolecular dynamics simulationMore Related Videos
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