Data Scientific Study on Allosteric Regulation of Hemoglobin -The Role of Chloride Ion in Quaternary Structural Change-

Abstract

In this letter, we investigated the contribution of bridging hydrogen bonds (BHB) via Cl⁻ on the T-R transition of human adult hemoglobin (HbA). We applied the time-series clustering method to time-series data of the αβ dimer rotation angle φ and the total number of the BHBs. Compared with the above two results, we have concluded that Cl⁻-BHBs do not significantly contribute to the structural regulation of HbA.