Molecular dynamics simulation of the LOV2 domain from Adiantum capillus-veneris
- The mechanism for signal transduction from the LOV-domains toward the kinase region of phototropin is still not well understood. We have performed molecular dynamics (MD) simulations and CONCOORD calculations on the LOV2 domain of Adiantum capillus-veneris, with the goal to detect possible differences between the two forms of the LOV domain which may not show up in the static crystal structures. Since no such clear differences are found in the MD simulations also, we suggest that the real, biologically active conformation of the LOV domain within the whole phototropin is different from the crystal structure of the isolated LOV domains. The MD simulations do offer, however, insight into details of the dynamics of the dark and illuminated LOV domains, which are discussed in the light of recent experiments
| Author details: | C. Neiss, Peter SaalfrankORCiDGND |
|---|---|
| ISSN: | 0095-2338 |
| Publication type: | Article |
| Language: | English |
| Year of first publication: | 2004 |
| Publication year: | 2004 |
| Release date: | 2017/03/24 |
| Source: | Journal of Chemical Information and Computer Sciences. - ISSN 0095-2338. - 44 (2004), 5, S. 1788 - 1793 |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie |
| Peer review: | Referiert |
| Institution name at the time of the publication: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik |
