Journal
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
Volume 53, Issue 24, Pages 1706-1717Publisher
WILEY
DOI: 10.1002/polb.23809
Keywords
conductive pili; Geobacter sulfurreducens; electroactive biofilm; protein conductance; molecular electronics
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Funding
- NRL
- ONR
- DoD HIP project
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Geobacter sulfurreducens pili composed of the Type IV pili structural peptide PilA have been implicated as efficient electronic conductors. Though investigated experimentally, no detailed theoretical studies have been performed to date that provide quantitative estimation of the transmission spectrum, electron transfer (ET) paths, efficiency of current generation, and other factors needed for understanding possible mechanisms of conductivity. In the present work, we calculate from first principles the possibilities of electron tunneling through 3 PilA fragments which structure was identified recently by NMR. The results indicate that positively charged amino acids, arginines and lysines form electrostatic traps in the middle of the peptide preventing ET at low bias voltages (
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