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.
Paramagnetic constraints: An aid for quick solution structure determination of paramagnetic metalloproteins / I. BERTINI; C. LUCHINAT; G. PARIGI. - In: CONCEPTS IN MAGNETIC RESONANCE. - ISSN 1043-7347. - STAMPA. - 14:(2002), pp. 259-286. [10.1002/cmr.10027]
Paramagnetic constraints: An aid for quick solution structure determination of paramagnetic metalloproteins
BERTINI, IVANO;LUCHINAT, CLAUDIO;PARIGI, GIACOMO
2002
Abstract
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.I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.