Predicting the reactivity of proteins from their sequence alone: Kazal family of protein inhibitors of serine proteinases

Citation
Sm. Lu et al., Predicting the reactivity of proteins from their sequence alone: Kazal family of protein inhibitors of serine proteinases, P NAS US, 98(4), 2001, pp. 1410-1415
Citations number
48
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Multidisciplinary
Journal title
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
ISSN journal
0027-8424 → ACNP
Volume
98
Issue
4
Year of publication
2001
Pages
1410 - 1415
Database
ISI
SICI code
0027-8424(20010213)98:4<1410:PTROPF>2.0.ZU;2-Z
Abstract
An additivity-based sequence to reactivity algorithm for the interaction of members of the Kazal family of protein inhibitors with six selected serine proteinases is described. Ten consensus variable contact positions in the inhibitor were identified, and the 19 possible variants at each of these po sitions were expressed. The free energies of interaction of these variants and the wild type were measured. For an additive system, this data set allo ws for the calculation of all possible sequences, subject to some restricti ons. The algorithm was extensively tested. It is exceptionally fast so that all possible sequences can be predicted. The strongest, the most specific possible, and the least specific inhibitors were designed, and an evolution ary problem was solved.