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Volumn 129, Issue 20, 2007, Pages 6346-6347

The effect of a water molecule on the mechanism of formation of compound 0 in horseradish peroxidase

Author keywords

[No Author keywords available]

Indexed keywords

HORSERADISH PEROXIDASE; WATER;

ARTICLE; CHEMICAL REACTION; ENZYME ANALYSIS; ENZYME STRUCTURE; MOLECULE;

EID: 34249035753 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0676861 Document Type: Article

Times cited : (107)

References (15)

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- (2000) Biochemistry , vol.39 , pp. 13201-13209
- Rodriguez-Lopez, J.N.¹ Gilabert, M.A.² Tudela, J.³ Thorneley, R.N.F.⁴ Garcia-Canovas, F.⁵

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13
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- A low barrier was reported recently without either water 2407 or the protein environment; see: Zazza, C, Aschi, M, Palma, A. Chem. Phys. Lett. 2006, 428, 152-156. But the QM only study starts from a conformation that brings His42 very close to the proximal proton of FeH 2O2, We note that His42 is in an α-helix that cannot be altered easily to this conformation. Our own QM/MM CPMD simulations do not reveal such a conformation
- 2). We note that His42 is in an α-helix that cannot be altered easily to this conformation. Our own QM/MM CPMD simulations do not reveal such a conformation.

14
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