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Effect of side-chain disorder on the electronic structure of proteins

✍ Scribed by Sándor Suhai; Johannes Kaspar; János Ladik

Book ID
104579838
Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
550 KB
Volume
17
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The influence of side‐chain disorder on the electronic structure of proteins has been investigated in the case of polypeptides containing two or three different amino acid residues. It has been found that due to the different potentials of different side‐chain groups, the original valence and conduction bands of the homopolypeptides are split into narrow bands. The comparison of the densities of electronic states in simple homopolypeptides and in composite polymers shows that new forbidden regions in the energy spectrum of proteins may develop. The consequences of these effects for the semiconductive properties of proteins are discussed.

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✍ A.K. Bakshi; J. Ladik 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 498 KB

The effect of sidechain protonation and tautomerization of histidine on the electronic structure of proteins is investigated. Ab initio band structure results for proton&d polyhktidine, polyhistidine in both tautomeric forms, polyglycine and polyalanine are reported. The density of states of the cor