Understanding proton affinity of tyrosine sidechain in hydrophobic confinement

Journal of Chemical Sciences

S Taraphder¹  T Karmakar¹  T G Abi1¹ 

[1] Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721 302, India$$

关键词: Tyrosine;    proton affinity;    carbon nanotube.;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

Tyrosine is an important amino acid residue that plays a key role in several biochemical transformations such as, abstraction/donation of proton from/by its sidechain. We present here a density functional study on the proton affinity of tyrosine sidechain suspended inside the core of a single walled carbon nanotube that mimics the environment of protein structural pores and molecular channels. Tyrosine is found to exhibit a lower reactivity on confinement and unlike several other polar amino acid sidechains, its reactivity does not respond to hydrogen bonding with neighbouring hydroxyl groups.

【 授权许可】

Unknown