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Role of Inositol Hexakisphosphate Co-factor in TIR1–Substrate Interactions by Molecular Modeling study

등록일
2008년 2월 14일 11시 19분 28초
접수번호
1302
발표코드
31P60포 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 <발표Ⅱ>
발표형식
포스터
발표분야
생명화학
저자 및
공동저자
Bharatham Kavitha, Bharatham Nagakumar, 이근우1
경상대학교 응용생명과학부,
1경상대학교 생화학과 응용생명과학부 EB-NCRC,
Auxin, a pivotal plant hormone, regulates gene expression by promoting SCF ubiquitin-ligase-catalysed degradation of the Aux/IAA transcription repressors by F-box proteins like transport inhibitor response 1 (TIR1). The crystal structures of Arabidopsis TIR1–ASK1 complex contains an unexpected inositol hexakisphosphate (InsP6) co-factor and recognizes auxin along with the Aux/IAA polypeptide (IAA7) substrate through a single surface pocket. The auxin is sandwiched between the InsP6 co-factor below and IAA7 peptide above in TIR1 pocket. To determine the role of InsP6 co-factor, molecular dynamics (MD) simulations were performed using Amber99 forcefield of GROMACS software. Three 5 ns MD simulations were performed for TIR1 and each system was placed in a water box, minimized, neutralized, equilibrated sequentially to finally perform the production run. The results have revealed the crucial role of InsP6 in maintaining the stability of the leucine-rich repeat (LRR) domain and also its role in maintaining the orientation of auxin at the auxin-binding pocket.

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