Docking of photosystem I subunit C using a constrained geometric simulation

Craig C. Jolley, Stephen A. Wells, Brandon M. Hespenheide, Michael Thorpe, Petra Fromme

Research output: Contribution to journalArticle

25 Citations (Scopus)

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.

Original languageEnglish (US)
Pages (from-to)8803-8812
Number of pages10
JournalJournal of the American Chemical Society
Volume128
Issue number27
DOIs
StatePublished - Jul 12 2006

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Photosystem I Protein Complex
Protein Subunits
Computer Simulation
Proteins
Docks

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Docking of photosystem I subunit C using a constrained geometric simulation. / Jolley, Craig C.; Wells, Stephen A.; Hespenheide, Brandon M.; Thorpe, Michael; Fromme, Petra.

In: Journal of the American Chemical Society, Vol. 128, No. 27, 12.07.2006, p. 8803-8812.

Research output: Contribution to journalArticle

Jolley, Craig C. ; Wells, Stephen A. ; Hespenheide, Brandon M. ; Thorpe, Michael ; Fromme, Petra. / Docking of photosystem I subunit C using a constrained geometric simulation. In: Journal of the American Chemical Society. 2006 ; Vol. 128, No. 27. pp. 8803-8812.
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