Docking of photosystem I subunit C using a constrained geometric simulation

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

Research output: Contribution to journalArticlepeer-review

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
Pages (from-to)8803-8812
Number of pages10
JournalJournal of the American Chemical Society
Volume128
Issue number27
DOIs
Publication statusPublished - Jul 12 2006

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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