title: Design of net-charged abc-type collagen heterotrimers.
abstract: Net-negatively-charged heterospecific A:B:C collagen peptide heterotrimers were designed using an automated computational approach. The design algorithm considers both target stability and the energy gap between the target states and misfolded competing states. Structural characterization indicates the net-negative charge balance on the new designs enhances the specificity of the target state at the expense of its stability.
authors.affiliation: Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, UMDNJ and Center for Advanced Biotechnology and Medicine, Piscataway, NJ 08854, United States.
authors.forename: Avanish S
authors.initials: AS
authors.lastname: Parmar
authors.affiliation: Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, UMDNJ and Center for Advanced Biotechnology and Medicine, Piscataway, NJ 08854, United States.
authors.forename: Sohail
authors.initials: S
authors.lastname: Zahid
authors.affiliation: Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, UMDNJ and Center for Advanced Biotechnology and Medicine, Piscataway, NJ 08854, United States.
authors.forename: Sandeep V
authors.initials: SV
authors.lastname: Belure
authors.affiliation: Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, UMDNJ and Center for Advanced Biotechnology and Medicine, Piscataway, NJ 08854, United States.
authors.forename: Robert
authors.initials: R
authors.lastname: Young
authors.affiliation: Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, UMDNJ and Center for Advanced Biotechnology and Medicine, Piscataway, NJ 08854, United States.
authors.forename: Nida
authors.initials: N
authors.lastname: Hasan
authors.affiliation: Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, UMDNJ and Center for Advanced Biotechnology and Medicine, Piscataway, NJ 08854, United States. Electronic address: nanda@cabm.rutgers.edu.
authors.forename: Vikas
authors.initials: V
authors.lastname: Nanda
mesh_terms: D000595:Amino Acid Sequence; D024061:Collagen Type III / Q000737:chemistry*; D024142:Collagen Type VI / Q000737:chemistry*; D003198:Computer Simulation; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011485:Protein Binding; D015202:Protein Engineering; D055503:Protein Multimerization; D055550:Protein Stability; D020836:Protein Structure, Quaternary; D017433:Protein Structure, Secondary
chemical_list: D024061:Collagen Type III; D024142:Collagen Type VI
keywords: Collagen; Electrostatics; Protein design; Triple-helix