Paramagnetic constraints: An aid for quick solution structure determination of paramagnetic metalloproteins

被引：93

作者：

Bertini, I

Luchinat, C

Parigi, G

机构：

[1] Univ Florence, CERM, I-50019 Sesto Fiorentino, Italy

[2] Univ Florence, Dept Chem, I-50019 Sesto Fiorentino, Italy

[3] Univ Florence, Dept Agr Biotechnol, I-50144 Florence, Italy

来源：

CONCEPTS IN MAGNETIC RESONANCE | 2002年 / 14卷 / 04期

关键词：

paramagnetism; pseudocontact shifts; residual dipolar coupling; relaxation rates; cross correlations;

D O I：

10.1002/cmr.10027

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Paramagnetism-based constraints for the solution structure determination of metal-containing proteins are introduced and analyzed theoretically to emphasize the amount of information that they contain. They are the relaxation rates, contact shifts, pseudocontact shifts, self-orientation residual dipolar couplings and, cross correlations between Curie relaxation and dipolar relaxation. Computational strategies are discussed and examples are provided to show the effective impact of such constraints in real life. (C) 2002 Wiley Periodicals, Inc.

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页码：259 / 286

页数：28

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