Computational redesign of the lipid-facing surface of the outer membrane protein OmpA

• DOI: 10.1073/pnas.1501836112
• Publication Date: 2015-07-22T02:10:15Z
• Authors: James A. Stapleton; Timothy A. Whitehead; Vikas Nanda
• Keywords: Protein design; Folding (DSP implementation); Protein Engineering; Peripheral membrane protein; Cell membrane

Significance The ability to construct novel proteins from basic principles of molecular structure is the fundamental goal protein design. This particularly challenging in case β-barrel outer membrane proteins, where our understanding rules governing and function lags behind that other classes proteins. Here, we took a step toward architecture by focusing on outward-facing amino acid positions contact cell membrane. We replaced membrane-facing surface OmpA with new surfaces designed resemble natural surfaces. were able design versions mutations at about two-thirds all positions, indicating achievable.