Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
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The Optimum pH of Oxidoreductases: A Comparison Between Experimental and Calculated pH Optimum

산화환원 효소의 최적 pH 예측

  • Kim, Jin Ryeon (School of Chemical Engineering, Seoul National University) ;
  • Yang, Ji Hye (School of Chemical Engineering, Seoul National University) ;
  • Yu, Yeong Je (School of Chemical Engineering, Seoul National University)
  • 김진련 (서울대학교 공과대학 응용화학부) ;
  • 양지혜 (서울대학교 공과대학 응용화학부) ;
  • 유영제 (서울대학교 공과대학 응용화학부)
  • Published : 2002.10.20
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Abstract

For various oxidoreductases, the optimum pHs of the enzymes can be calculated using the rule based on proton transfer. Relative probability of a certain amino acid side chain to be in the water, or the relative affinity to the water was calculated using Boltzman distribution. Also, the protonated and deprotonated portions of a certain amino acid side chain were calculated using p$K_R$ of that and the effective protonated and deprotonated protions were the product of relative probability and the protonated and deproteonated protions. Where the total effective protonated portion was equal to the effective deprotonated portion of amino acid side chains, it was expected that oxidoreductases have max-imum activities. The optimum pHs calculated by our rule were compared with the experimental results.

본 논문에서는 산화 환원 효소의 최적 pH를 예측해 보았다. Boltzman 분배를 이용하여 어떤 아미노산의 side chain이 물에서 발견될수 있는 상대적 확률이나 물에 대한 상대적 친화력을 구하였으며 p$K_R$을 이용해 protonated 아미노산의 양과 deprotonated 아미소산의 양을 계산하였다. 효소의 최적 pH는 아미노산의 side chain이 물에서 발견될수 있는 상대적 확률과 protonated 또는 deprotonated된 아미노산 양의 곱인 유효 protonated된 양과 유효 depotonated된 양이 같아지는 pH로 예측하였다. 문헌 값과 비교해 보았을 때 예측치는 상당히 일치하는 경향을 보였으며 이 결과 로 효소 자체의 전도도가 생물학적 기능에 있어 매우 중요한 역할을 하는 것을 알 수있다.

Keywords

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