Computational design of nonbiological protein-porphyrin complexes

Jeffery G. Saven, Dept. Chemistry, U. Penn

Global objectives and specific goals of the project:

• Develop and apply methods for the de novo design of protein structure and sequence
• Create protein-porphyrin complexes that contain nonbiological cofactors with novel optical and opto-electronic properties
• Scientific strategy, approach and uniqueness
• Use of computational methods for the complete design of protein structure and sequence
• Methods address large numbers of possible sequences and structures

Conclusion and impact:
Via computational design, large bio-inspired proteins can be tailored to yield well structured nanoscale systems with abiotic functionalities

References:
F. V. Cochran, S. P. Wu, W. Wang, V. Nanda, J. G. Saven, M. J. Therien, W. F. DeGrado, Computational de novo design and characterization of a four-helix bundle protein that selectively binds a non-biological cofactor. J Am Chem Soc, 2005. 127: 1346–1347.