Binding interaction of hypocrellin B to myoglobin: A spectroscopic and computational study

- Hypocrellin B (Hyp B) quenches Mb fluorescence by forming two unique ground-state complexes on the surface of the enzyme.
- Docking simulations reveal two binding sites for Hyp B: Tyr103 and Trp7, the former being more energetically accessible.
- Upon Hyp B binding, the microenvironment of Trp becomes more hydrophilic while that of Tyr remains the same.