Unique stabilizing interactions identified in the two-stranded alpha-helical coiled-coil: crystal structure of a cortexillin I/GCN4 hybrid coiled-coil peptide

Protein Sci. 2003 Jul;12(7):1395-405. doi: 10.1110/ps.0241403.

Abstract

We determined the 1.17 A resolution X-ray crystal structure of a hybrid peptide based on sequences from coiled-coil regions of the proteins GCN4 and cortexillin I. The peptide forms a parallel homodimeric coiled-coil, with C(alpha) backbone geometry similar to GCN4 (rmsd value 0.71 A). Three stabilizing interactions have been identified: a unique hydrogen bonding-electrostatic network not previously observed in coiled-coils, and two other hydrophobic interactions involving leucine residues at positions e and g from both g-a' and d-e' interchain interactions with the hydrophobic core. This is also the first report of the quantitative significance of these interactions. The GCN4/cortexillin hybrid surprisingly has two interchain Glu-Lys' ion pairs that form a hydrogen bonding network with the Asn residues in the core. This network, which was not observed for the reversed Lys-Glu' pair in GCN4, increases the combined stability contribution of each Glu-Lys' salt bridge across the central Asn15-Asn15' core to approximately 0.7 kcal/mole, compared to approximately 0.4 kcal mole(-1) from a Glu-Lys' salt bridge on its own. In addition to electrostatic and hydrogen bonding stabilization of the coiled-coil, individual leucine residues at positions e and g in the hybrid peptide also contribute to stability by 0.7 kcal/mole relative to alanine. These interactions are of critical importance to understanding the stability requirements for coiled-coil folding and in modulating the stability of de novo designed macromolecules containing this motif.

Publication types

  • Comparative Study

MeSH terms

  • Amino Acid Sequence
  • Circular Dichroism
  • Crystallography, X-Ray
  • Glutamic Acid / chemistry
  • Hydrophobic and Hydrophilic Interactions
  • Leucine / chemistry
  • Lysine / chemistry
  • Microfilament Proteins / chemistry*
  • Models, Molecular
  • Molecular Sequence Data
  • Oligopeptides / chemistry*
  • Peptides / chemical synthesis
  • Peptides / chemistry*
  • Protein Structure, Secondary
  • Protozoan Proteins

Substances

  • CCSL protein, synthetic
  • Microfilament Proteins
  • Oligopeptides
  • Peptides
  • Protozoan Proteins
  • ctxA protein, Dictyostelium discoideum
  • Glutamic Acid
  • Leucine
  • Lysine

Associated data

  • PDB/1P9I