Smoluchowski dynamics of the vnd/NK-2 homeodomain from Drosophila melanogaster: First-order mode-coupling approximation

✍ Scribed by Giovanni La Penna; Michele Mormino; Franco Pioli; Angelo Perico; Roberto Fioravanti; James M. Gruschus; James A. Ferretti

• Publisher: Wiley (John Wiley & Sons)
• Year: 1999
• Tongue: English
• Weight: 330 KB
• Volume: 49
• Category: Article
• ISSN: 0006-3525
• DOI: 10.1002/(sici)1097-0282(199903)49:3<235::aid-bip5>3.0.co;2-7

✦ Synopsis

This work is the first in a series devoted to applying mode coupling diffusion theory to the derivation of local dynamics properties of proteins in solution. The first-order mode-coupling approximation, or optimized Rouse-Zimm local dynamics (ORZLD), is applied here to derive the rotational dynamics of the bonds and compare the calculated with the experimental nmr 15 N spin-lattice relaxation time behavior of the vnd/NK-2 homeodomain from Drosophila melanogaster. The starting point for the calculations is the experimental three-dimensional structure of the homeodomain determined by multidimensional nmr spectroscopy. The results of the computations