3S0R

Crystal Structure of De novo Designed helical assembly protein

Summary for 3S0R

• Entry DOI: 10.2210/pdb3s0r/pdb
• Descriptor: De novo designed Helical Assembly (2 entities in total)
• Functional Keywords: interacts with single walled nanotube (swnt), de novo protein
• Biological source: artificial gene
• Total number of polymer chains: 2
• Total formula weight: 6377.13

Authors

Acharya, R.,Grigoryan, G.,Kim, Y.H.,DeGrado, W.F. (deposition date: 2011-05-13, release date: 2011-06-15, Last modification date: 2024-04-03)

Primary citation

Grigoryan, G.,Kim, Y.H.,Acharya, R.,Axelrod, K.,Jain, R.M.,Willis, L.,Drndic, M.,Kikkawa, J.M.,DeGrado, W.F.
Computational design of virus-like protein assemblies on carbon nanotube surfaces.
Science, 332:1071-1076, 2011

PubMed Abstract: There is a general need for the engineering of protein-like molecules that organize into geometrically specific superstructures on molecular surfaces, directing further functionalization to create richly textured, multilayered assemblies. Here we describe a computational approach whereby the surface properties and symmetry of a targeted surface define the sequence and superstructure of surface-organizing peptides. Computational design proceeds in a series of steps that encode both surface recognition and favorable intersubunit packing interactions. This procedure is exemplified in the design of peptides that assemble into a tubular structure surrounding single-walled carbon nanotubes (SWNTs). The geometrically defined, virus-like coating created by these peptides converts the smooth surfaces of SWNTs into highly textured assemblies with long-scale order, capable of directing the assembly of gold nanoparticles into helical arrays along the SWNT axis.

PubMed: 21617073
DOI: 10.1126/science.1198841

Experimental method

X-RAY DIFFRACTION (2.453 Å)