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  • 08월 28일 16시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

Arginine-Arginine Interaction in Protein Environment

등록일
2008년 8월 12일 12시 20분 12초
접수번호
1375
발표코드
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발표시간
목 <발표Ⅱ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
이동선, 석차옥
서울대학교 화학부, Korea
Arginine has a positively charged guanidinium ion in the side-chain tail. However, analysis of high-resolution protein structures shows that there are a significant number of closely located arginines forming arginine-arginine (R-R) pairs despite the apparent unfavorable electrostatic repulsion. In order to understand this phenomenon, we first examined the frequencies of different types of amino acids near arginines. The statistics shows that negatively charged amino acids are most frequently found, and especially aspartate is more important than glutamate for formation of an R-R pair. In addition to that, aromatic amino acids are located close to arginines, consistent with the recent report on R-R pairs in protein-protein interfaces. Interaction energies of R-R pairs and stabilization due to interaction with neighboring residues were calculated with the AMBER03 force field. We also examined whether an arginine in an R-R pair can be in a neutral state with a thermodynamic integration simulation.

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