A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity

Nat Struct Biol. 1996 Jul;3(7):626-31. doi: 10.1038/nsb0796-626.

Abstract

Conformational changes that gate the access of substrates or ligands to an active site are important features of enzyme function. In this report, we describe an unusual example of a structural rearrangement near a buried artificial cavity in cytochrome c peroxidase that occurs on binding protonated benzimidazole. A hinged main-chain rotation at two residues (Pro 190 and Asn 195) results in a surface loop rearrangement that opens a large solvent-accessible channel for the entry of ligands to an otherwise inaccessible binding site. The trapping of this alternate conformational state provides a unique view of the extent to which protein dynamics can allow small molecule penetration into buried protein cavities.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Crystallography, X-Ray
  • Cytochrome-c Peroxidase / chemistry*
  • Ligands*
  • Models, Structural
  • Mutagenesis, Site-Directed
  • Protein Binding
  • Protein Conformation*

Substances

  • Ligands
  • Cytochrome-c Peroxidase