title: Structural modeling of the Lhca4 Subunit of LHCI-730 peripheral antenna in photosystem I based on similarity with LHCII.
abstract: Peripheral chlorophyll a/b binding antenna of photosystem I (LHCI) from green algae and higher plants binds specific low energy absorbing chlorophylls (red pigments) that give rise to a unique red-shifted emission. A three-dimensional structural model of the Lhca4 polypeptide from the LHCI from higher plants was constructed on the basis of comparative sequence analysis, secondary structure prediction, and homology modeling using LHCII as a template. The obtained model of Lhca4 helps to visualize protein ligands to nine chlorophylls (Chls) and three potential His residues to extra Chls. Central domain of the Lhca4 comprising the first (A) and the third (C) transmembrane (TM) helices that binds 6 Chl molecules and two carotenoids is conserved structurally, whereas the interface between the first and the second TM helices and the outer surface of the second TM helix differ significantly among the LHCI and LHCII polypeptides. The model of Lhca4 predicts a histidine residue in the second TM helix, a potential binding site for extra Chl in close proximity to Chls a5 and b5 (labeling by Kühlbrandt). The interpigment interactions in the formed pigment cluster are suggested to cause a red spectral shift in absorption and emission. Modeling of the LHCI-730 heterodimer based on the model structures of Lhca1 and Lhca4 allowed us to suggest potential sites of pigment-pigment interactions that might be formed upon heterodimerization or docking of the LHCI dimers to the surface of PSI.
authors.affiliation: Department of Chemistry and Biochemistry and Center for the Study of Early Events in Photosynthesis, Arizona State University, Tempe, Arizona 85287-1604, USA. alexander.melkozernov@asu.edu
authors.forename: Alexander N
authors.initials: AN
authors.lastname: Melkozernov
authors.forename: Robert E
authors.initials: RE
authors.lastname: Blankenship
mesh_terms: D000595:Amino Acid Sequence; D001120:Arginine; D001665:Binding Sites; D002734:Chlorophyll / Q000378:metabolism; D000077194:Chlorophyll A; D061146:Chlorophyll Binding Proteins; D003198:Computer Simulation; D016384:Consensus Sequence; D019281:Dimerization; D045342:Light-Harvesting Protein Complexes / Q000737:chemistry*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D015394:Molecular Structure; D045331:Photosystem I Protein Complex / Q000737:chemistry*; D045332:Photosystem II Protein Complex / Q000737:chemistry*; D010860:Pigments, Biological / Q000378:metabolism; D011487:Protein Conformation; D017433:Protein Structure, Secondary; D021122:Protein Subunits / Q000737:chemistry*; D016415:Sequence Alignment
chemical_list: D061146:Chlorophyll Binding Proteins; D045342:Light-Harvesting Protein Complexes; D045331:Photosystem I Protein Complex; D045332:Photosystem II Protein Complex; D010860:Pigments, Biological; D021122:Protein Subunits; D002734:Chlorophyll; C037184:chlorophyll b; D001120:Arginine; D000077194:Chlorophyll A