title: Docking of photosystem I subunit C using a constrained geometric simulation.
abstract: The elucidation of assembly pathways of multi-subunit protein complexes is a problem of great interest in structural biology and biomolecular modeling. In this study, we use a new computer algorithm for the simulation of large-scale motion in proteins to dock the subunit PsaC onto Photosystem I. We find that a complicated docking pathway involving multiple conformational changes can be quickly simulated by actively targeting only a few residues at a time to their target positions. Simulations for two possible docking scenarios are explored, and experimental approaches to distinguish between them are discussed.
authors.affiliation: Department of Physics & Astronomy, The Center for the Study of Early Events in Photosynthesis, Arizona State University, Tempe, Arizona 85287, USA.
authors.forename: Craig C
authors.initials: CC
authors.lastname: Jolley
authors.forename: Stephen A
authors.initials: SA
authors.lastname: Wells
authors.forename: Brandon M
authors.initials: BM
authors.lastname: Hespenheide
authors.forename: Michael F
authors.initials: MF
authors.lastname: Thorpe
authors.forename: Petra
authors.initials: P
authors.lastname: Fromme
mesh_terms: D000465:Algorithms; D001426:Bacterial Proteins / Q000737:chemistry; D003198:Computer Simulation; D008958:Models, Molecular; D009010:Monte Carlo Method; D045331:Photosystem I Protein Complex / Q000737:chemistry*; D011487:Protein Conformation; D017434:Protein Structure, Tertiary; D021122:Protein Subunits / Q000737:chemistry
chemical_list: D001426:Bacterial Proteins; D045331:Photosystem I Protein Complex; D021122:Protein Subunits