Scholarlink

<p>Binding of FUL with <i>SOC1</i> promoter is necessary for promoting floral transition. Structural insights on mechanisms of binding can be exploited to modify DNA–protein interactions. In polyploid <i>Brassicas</i>, naturally diverse homologs of FUL proteins and <i>SOC1</i> promoters likely regulate flowering time by way of complex interactions patterns. The dynamics of these, however, remain unexplored. Herein, we report natural structural variation among 51 FUL homologs from 25 Brassicaceae species and 3 <i>BjuSOC1</i>promoter homeologs. The 5’-distal deletions of <i>BjuSOC1</i>promoters with diverse TFBS profiles, exhibited differential GUS activity. Genetic complementation of <i>soc1-2</i> mutant with <i>BjupSOC1: AtSOC1</i> constructs revealed differential strength of promoter homeologs, manifesting as variable potential of flowering and <i>AtSOC1</i> levels. Despite structural variation, docked FUL:<i>pSOC1</i> complexes, depicted similar binding affinity stabilized by both conserved and unique residues. Molecular dynamics simulations highlighted impact of mutations on interactions. Root Mean Square Deviation revealed conformational flexibility of docked FUL: <i>pSOC1</i> complexes, while Root Mean Square Fluctuation values demonstrated structural flexibility of FUL proteins bound to <i>SOC1</i> promoters. The MM-GBSA-based binding free energy parameters and interaction mapping showed that mutations in FUL proteins and <i>SOC1</i> promoters are compensatory permitting conservation of interaction potential. Yeast one-hybrid assays validated in silico interaction patterns. This study is essential since interacting amino-acid and nucleotide residues can be modified to design novel alleles of FUL and <i>SOC1</i> with enhanced binding potential to achieve early flowering, a key agronomic trait.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Molecular dynamics and evolutionary conservation of FUL-SOC1 regulatory interactions in polyploid Brassica juncea

  • 期刊论文

  • 发表日期：

    2026年3月16日

查看全文
  • Simran Kaur,
  • Rinki Sisodia,
  • Mohit Pareek,
  • Tanu Sri,
  • Swetannita Chattopadhyay,
  • Priya Yaduvanshi,
  • Shailendra Asthana,
  • Chaithanya Madhurantakam,
  • Anandita Singh

摘要

Binding of FUL with SOC1 promoter is necessary for promoting floral transition. Structural insights on mechanisms of binding can be exploited to modify DNA–protein interactions. In polyploid Brassicas, naturally diverse homologs of FUL proteins and SOC1 promoters likely regulate flowering time by way of complex interactions patterns. The dynamics of these, however, remain unexplored. Herein, we report natural structural variation among 51 FUL homologs from 25 Brassicaceae species and 3 BjuSOC1promoter homeologs. The 5’-distal deletions of BjuSOC1promoters with diverse TFBS profiles, exhibited differential GUS activity. Genetic complementation of soc1-2 mutant with BjupSOC1: AtSOC1 constructs revealed differential strength of promoter homeologs, manifesting as variable potential of flowering and AtSOC1 levels. Despite structural variation, docked FUL:pSOC1 complexes, depicted similar binding affinity stabilized by both conserved and unique residues. Molecular dynamics simulations highlighted impact of mutations on interactions. Root Mean Square Deviation revealed conformational flexibility of docked FUL: pSOC1 complexes, while Root Mean Square Fluctuation values demonstrated structural flexibility of FUL proteins bound to SOC1 promoters. The MM-GBSA-based binding free energy parameters and interaction mapping showed that mutations in FUL proteins and SOC1 promoters are compensatory permitting conservation of interaction potential. Yeast one-hybrid assays validated in silico interaction patterns. This study is essential since interacting amino-acid and nucleotide residues can be modified to design novel alleles of FUL and SOC1 with enhanced binding potential to achieve early flowering, a key agronomic trait.