Comparison between α- And β-carbonic anhydrases: Can Zn(His)3(H2O) and Zn(His)(Cys)2(H2O) sites lead to equivalent enzymes?

Florent Pannetier; Gilles Ohanessian; Gilles Frison

doi:10.1039/c0dt01454k

Comparison between α- And β-carbonic anhydrases: Can Zn(His)₃(H₂O) and Zn(His)(Cys)₂(H₂O) sites lead to equivalent enzymes?

Florent Pannetier
, Gilles Ohanessian
, Gilles Frison

CNRS

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

Large models of α- and β-carbonic anhydrases were compared using DFT calculations. They indicate similar acidity of the coordinated water molecule and zinc affinity. This explains their similar mechanism of action, despite the wide difference in their first coordination sphere.

Original language	English
Pages (from-to)	2696-2698
Number of pages	3
Journal	Dalton Transactions
Volume	40
Issue number	12
DOIs	https://doi.org/10.1039/c0dt01454k
Publication status	Published - 28 Mar 2011
Externally published	Yes

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title = "Comparison between α- And β-carbonic anhydrases: Can Zn(His)3(H2O) and Zn(His)(Cys)2(H2O) sites lead to equivalent enzymes?",

abstract = "Large models of α- and β-carbonic anhydrases were compared using DFT calculations. They indicate similar acidity of the coordinated water molecule and zinc affinity. This explains their similar mechanism of action, despite the wide difference in their first coordination sphere.",

author = "Florent Pannetier and Gilles Ohanessian and Gilles Frison",

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T2 - Can Zn(His)3(H2O) and Zn(His)(Cys)2(H2O) sites lead to equivalent enzymes?

AU - Pannetier, Florent

AU - Ohanessian, Gilles

AU - Frison, Gilles

PY - 2011/3/28

Y1 - 2011/3/28

N2 - Large models of α- and β-carbonic anhydrases were compared using DFT calculations. They indicate similar acidity of the coordinated water molecule and zinc affinity. This explains their similar mechanism of action, despite the wide difference in their first coordination sphere.

AB - Large models of α- and β-carbonic anhydrases were compared using DFT calculations. They indicate similar acidity of the coordinated water molecule and zinc affinity. This explains their similar mechanism of action, despite the wide difference in their first coordination sphere.

U2 - 10.1039/c0dt01454k

DO - 10.1039/c0dt01454k

M3 - Article

C2 - 21298147

AN - SCOPUS:79952664519

SN - 1477-9226

VL - 40

SP - 2696

EP - 2698

JO - Dalton Transactions

JF - Dalton Transactions

IS - 12

ER -

Comparison between α- And β-carbonic anhydrases: Can Zn(His)3(H2O) and Zn(His)(Cys)2(H2O) sites lead to equivalent enzymes?

Abstract

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Comparison between α- And β-carbonic anhydrases: Can Zn(His)₃(H₂O) and Zn(His)(Cys)₂(H₂O) sites lead to equivalent enzymes?