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Volumn 130, Issue 43, 2008, Pages 14036-14037

Trigger mechanism for the catalytic hydrogen activation by monoiron (iron-sulfur cluster-free) hydrogenase

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; HYDROGENASE; IRON SULFUR PROTEIN; PROTON;

EID: 54849442474     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja804364p     Document Type: Article
Times cited : (57)

References (20)
  • 2
    • 35848964033 scopus 로고    scopus 로고
    • (b) Kubas, G. J. Chem. Rev. 2007, 107, 4152.
    • (2007) Chem. Rev , vol.107 , pp. 4152
    • Kubas, G.J.1
  • 17
    • 54849421969 scopus 로고    scopus 로고
    • Gaussian, Inc, Pittsburgh, PA
    • Frisch, M. J. et al. Gaussian 03, revision C.02; Gaussian, Inc.; Pittsburgh, PA, 2003.
    • (2003) Gaussian 03, revision , Issue.C.02
    • Frisch, M.J.1
  • 18
    • 54849406360 scopus 로고    scopus 로고
    • Because it is known that the protein binds MPT, we have chosen the reference enthalpy as 5, which avoids the artificial charge stabilization of the gas-phase reaction. We are currently studying larger MPT+ models and the effect of protein on the energy of MPT, binding. Based on preliminary solvent energy calculations of larger MPT+ models, we estimate that the enthalpy for 2, MPT, → 5 is ±5 kcal/mol see S1
    • + → 5 is ±5 kcal/mol (see S1).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.