- Article -
| In Silico Biology 8, 0022 (2008); ©2008, Bioinformation Systems e.V. |
Influence of C−H···π hydrogen bonds in interleukins
Sudha Anand, Anand Anbarasu and Rao Sethumadhavan*
Bioinformatics and Computational Biology Division,
School of Bio-Technology Chemical and Bio-Medical Engineering,
VIT UNIVERSITY, Vellore-632014, India
* Corresponding author
Email: rsethumadhavan@vit.ac.in
Edited by H. Michael; received October 12, 2007; revised April 22, 2008; accepted April 23, 2008; published July 21, 2008
Abstract
We have explored the roles played by C−H···π hydrogen bonds in interleukins. Main-chain to side-chain C−H···π interactions are the predominant type of interactions in interleukins. There was an average of 15 C−H···π interactions per protein and also there was an average of one significant C−H···π interaction for every 14 residues in the interleukins investigated. Significant contribution to C−H···π interactions was only from Asp, Gly, His, Lys, Phe, Pro, Ser, Thr, Trp and Tyr in interleukins. Trp contributed both donor and acceptor atoms in main-chain to side-chain, main-chain to side-chain 5 member aromatic ring and side-chain to side-chain C−H···π interactions. Short and medium-range C−H···π interactions are the predominant type of interactions in interleukins. More than 50% of C−H···π interacting residues had a conservation score of ≥ 6. Significant percentage of C−H···π interacting residues had one or more stabilization centers; hence these residues may also contribute additional stability to structure of interleukins.
Keywords: C−H···π interactions, solvent accessibility, short range interactions, stabilization centers, interleukins