Models for the active site of vanadium-dependent haloperoxidases: insight into the solution structure of peroxo vanadium compounds

被引：96

作者：

Conte, V ^{[1
]}

Bortolini, O

Carraro, M

Moro, S

机构：

[1] Univ Foggia, Fac Agraria, Ist PPA, I-71100 Foggia, Italy

[2] Univ Ferrara, Dipartimento Chim Organ, I-44100 Ferrara, Italy

[3] Dipartimento Sci Farmaceut, I-35131 Padua, Italy

来源：

JOURNAL OF INORGANIC BIOCHEMISTRY | 2000年 / 80卷 / 1-2期

关键词：

vanadium; peroxo complexes; haloperoxidases; mass spectrometry; ab initio calculations;

D O I：

10.1016/S0162-0134(00)00038-6

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A combined use of electrospray ionization-mass spectrometry (ESI-MS), V-51 NMR spectroscopy and ab initio calculations has been proved to be a powerful tool for obtaining direct information of the structure and the chemistry of peroxo vanadates in solutions. The analysis of acid solutions containing monoperoxo vanadates showed the occurrence of exchange reactions between solvent molecules in the coordination sphere of the metal. On the other hand, bisperoxo vanadates appear to be less prone to coordinate more than one water or alcohol molecule. The bisperoxo complex [VO5](-) in the presence of histidine and histidine-like ligands, at near neutral conditions, has been studied. Coordination of one and two molecules of ligand is observed affording [VO5L](-) and [VO5L2](-), respectively. Characterization of these species has been obtained by MSn experiments, which allowed us to distinguish specific fragmentations of the peroxidic moiety. (C) 2000 Elsevier Science Inc. All rights reserved.

引用

页码：41 / 49

页数：9

共 34 条

[1] Speciation in vanadium bioinorganic systems 6. Speciation study of aqueous peroxovanadates, including complexes with imidazole [J].

Andersson, I ;

Angus-Dunne, S ;

Howarth, O ;

Pettersson, L .

JOURNAL OF INORGANIC BIOCHEMISTRY, 2000, 80 (1-2) :51-58

[2] FAST-ATOM-BOMBARDMENT MASS-SPECTROMETRY OF MULTIPLY CHARGED POLYNUCLEAR RHENIUM(I) RUTHENIUM(II) COMPLEXES [J].

ARGAZZI, R ;

BIGNOZZI, CA ;

BORTOLINI, O ;

TRALDI, P .

INORGANIC CHEMISTRY, 1993, 32 (07) :1222-1225

[3] Ab initio calculations on water-peroxovanadium clusters, VO(O-2)(H2O)(n)(+) (n=1-5). Implications for the structure in aqueous solution [J].

Bagno, A ;

Conte, V ;

DiFuria, F ;

Moro, S .

JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (25) :4637-4640

[4] Use of electrospray ionization mass spectrometry to characterize chiral reactive intermediates in a titanium alkoxide mediated sulfoxidation reaction [J].

Bonchio, M ;

Licini, G ;

Modena, G ;

Moro, S ;

Bortolini, O ;

Traldi, P ;

Nugent, WA .

CHEMICAL COMMUNICATIONS, 1997, (09) :869-870

[5] Enantioselective Ti(IV) sulfoxidation catalysts-bearing C3-symmetric trialkanolamine ligands:: Solution speciation by 1H NMR and ESI-MS analysis [J].

Bonchio, M ;

Licini, G ;

Modena, G ;

Bortolini, O ;

Moro, S ;

Nugent, WA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (26) :6258-6268

[6]

Bortolini O, 1998, EUR J INORG CHEM, P1193

[7]

Bortolini O, 1999, EUR J INORG CHEM, P1489

[8] DETERMINING ATOM-CENTERED MONOPOLES FROM MOLECULAR ELECTROSTATIC POTENTIALS - THE NEED FOR HIGH SAMPLING DENSITY IN FORMAMIDE CONFORMATIONAL-ANALYSIS [J].

BRENEMAN, CM ;

WIBERG, KB .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (03) :361-373

[9] VANADIUM PEROXIDE COMPLEXES [J].

BUTLER, A ;

CLAGUE, MJ ;

MEISTER, GE .

CHEMICAL REVIEWS, 1994, 94 (03) :625-638

[10]

Butler A, 1997, STRUCT BOND, V89, P109

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