Structural evidence for pheromone discrimination by the pheromone binding protein 3 from Plutella xylostella

Liu, Jiyuan; Li, Ruichi; Zhou, Tong; Cheng, Shichang; Li, Chaoxia; Ye, Xuan; Li, Yue; Tian, Zhen

doi:10.1016/j.ijbiomac.2020.12.119

Cited by 8 publications

(12 citation statements)

References 52 publications

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“…Each of the three energy contributions contained three energy items including van der Waals energy, electrostatic energy, and polar solvation energy. The process of per‐residue free energy decomposition was similar to that reported in our former studies 44,46 …”

Section: Methodssupporting

confidence: 85%

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The Mythimna separata general odorant binding protein 2 (MsepGOBP2) is involved in the larval detection of the sex pheromone (Z)‐11‐hexadecenal

Tian

Cheng

et al. 2023

Pest Management Science

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BACKGROUND: Mythimna separata is a notorious pest causing crop damages at the larval stage. Gaining insight into larval olfaction mechanisms would provide knowledge for olfaction-based management of M. separata larvae. RESULTS:In the present research, (Z)-11-hexadecenal (Z11-16: Ald), a major component of M. separata sex pheromone, was found to attract early-instar larvae of M. separata in a food context. Using a fluorescent binding assay, we found that M. separata general odorant binding protein 2 (MsepGOBP2) exhibited high binding affinity to Z11-16: Ald. Further, silencing of MsepGOBP2 resulted in a sharp reduction of the response to Z11-16: Ald, which could not be mitigated by increasing the concentration of Z11-16: Ald. Additionally, we employed molecular dynamics-based approaches to unravel the interaction details between MsepGOBP2 and Z11-16: Ald, specifically the binding of Z11-16: Ald to MsepGOBP2. CONCLUSION: Z11-16: Ald is attractive to early-instar larvae of M. separata, and MsepGOBP2 is identified to be indispensable in the larval detection of Z11-16: Ald. These results could aid in the development of olfaction-based methods for controlling M. separata in the larval stage.

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Section: Methodssupporting

confidence: 85%

“…Detailed procedures for the expression and purification of the two proteins were similar to that of other OBPs in our former reports. [44][45][46] The produced MsepGOBP1 and Msep-GOBP2 proteins were directly used for prospective in vitro binding assay.…”

Section: Protein Expression and Purificationmentioning

confidence: 99%

The Mythimna separata general odorant binding protein 2 (MsepGOBP2) is involved in the larval detection of the sex pheromone (Z)‐11‐hexadecenal

Tian

Cheng

et al. 2023

Pest Management Science

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“…Residue motion characters in the GmolPBP2‐Cod and GmolPBP2‐Dod complexes could also represent the binding quality of two synergists 61,62 . The motion characteristics of each residue were embodied by the value of root‐mean‐square fluctuation (RMSF).…”

Section: Resultsmentioning

confidence: 99%

“…Residue motion characters in the GmolPBP2-Cod and GmolPBP2-Dod complexes could also represent the binding quality of two synergists. 61,62 The motion characteristics of each residue were embodied by the value of root-mean-square fluctuation (RMSF). The binding of Cod and Dod caused roughly similar motion behaviors of GmolPBP2 residues during the 200 000 ps MD simulations (Fig.…”

Section: Resultsmentioning

confidence: 99%

Structural insights into the discrepant synergistic activity of Codlemone and (Z)‐8‐dodecenol towards Grapholita molesta pheromones

Liu¹,

Zhou

Li³

et al. 2022

Pest Management Science

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BACKGROUND Insect pheromone synergists have been widely used to produce potent pheromone products for environment‐friendly pest control. Codlemone (Cod) and (Z)‐8‐dodecenol (Dod) are two major Grapholita molesta pheromone synergists, with Cod having greater synergism and affinity for G. molesta pheromone binding protein 2 (GmolPBP2). Uncovering structural information key to the different binding affinity of Cod and Dod to GmolPBP2 would gain insights into what causes their synergy activity discrepancy. RESULTS Binding modes of the two synergists in the binding pocket of GmolPBP2 were analyzed and compared by molecular dynamics‐based approaches. Although Cod and Dod were stabilized in a similar hydrophobic pocket, their interaction details with GmolPBP2 were divergent due to the extra double bond (C10═C11) in Cod. The C10═C11 improved the hydrophobic interactions of Cod with around residues. Such hydrophobic interaction improvement was also reflected in the raised importance of Phe11 in the GmolPBP2‐Cod interaction. Not only that, the increased hydrophobic forces introduced by the C10═C11 changed the CH2–OH orientation in the GmolPBP2‐Cod complex, which improved the H‐bond interaction. Electrostatic complementarity analysis further indicated the positive role of C10═C11 in optimizing GmolPBP2‐Cod interaction. CONCLUSION The C10═C11 is thought to contribute greatly to Cod's stronger synergy as a group key to the higher GmolPBP2‐affinity, based on which the improvement directions for Cod and Dod were addressed as well. Our findings will aid in the development and optimization of more effective pheromone synergists, resulting in more effective pheromone‐based pest management.

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“…After that, the purified MsGOBP1 and MsGOBP2 proteins were digested by Enterokinase (Solarbio, China) to remove the expression tag, re-purified by the Ni 2+ -NTA column (Qiagen, Germany), and finally dialyzed against 10 mM PBS buffer (pH 7.4). Detailed procedures for the expression and purification of the two proteins were similar to that of other OBPs in our former reports [55-57] . The produced MsGOBP1 and MsGOBP2 proteins can be directly used for prospective in vitro binding assay.…”

Section: Methodsmentioning

confidence: 99%

Molecular basis for the pheromone-mediated feeding preference of early-instar Mythimna separata larvae

Liu

Cheng

Zhou

et al. 2022

Preprint

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Insect sex pheromones are important chemical signals in sexual communication, they are traditionally thought to be inactive to larvae. However, it was found that some lepidopteran larvae can be significantly attracted by sex pheromones of the same species in a food context. Here we reported that the host-feeding choice of early-instar Mythimna separata larvae can be effectively regulated by the sex pheromone component (Z)-11-hexadecenal (Z11-16: Ald). Further exploration revealed that two olfactory proteins, M. separata general odorant binding protein 2 (MsGOBP2) and olfactory receptor 3 (MsOR3), were molecular basis of the host-feeding choice regulation mediated by Z11-16: Ald. Silencing either MsGOBP2 or MsOR3 led to a sharply reduced preference for Z11-16: Ald-spiked hosts. It is possible that the Z11-16: Ald-based preference of the M. separata larvae for host is governed by the interplay between MsGOBP2 and MsOR3. In the present research, the interactions between MsGOBP2 and Z11-16: Ald were also discussed using molecular dynamics-based approaches. Our research explored insight into the Z11-16: Ald-mediated host-feeding choice regulation of M. separata larvae, all the results would aid in developing olfaction-based methods for controlling pests in larval stage.

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Structural evidence for pheromone discrimination by the pheromone binding protein 3 from Plutella xylostella

Cited by 8 publications

References 52 publications

The Mythimna separata general odorant binding protein 2 (MsepGOBP2) is involved in the larval detection of the sex pheromone (Z)‐11‐hexadecenal

The Mythimna separata general odorant binding protein 2 (MsepGOBP2) is involved in the larval detection of the sex pheromone (Z)‐11‐hexadecenal

Structural insights into the discrepant synergistic activity of Codlemone and (Z)‐8‐dodecenol towards Grapholita molesta pheromones

Molecular basis for the pheromone-mediated feeding preference of early-instar Mythimna separata larvae

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