Accessing a Hidden Conformation of the Maltose Binding Protein Using Accelerated Molecular Dynamics

doi:10.1371/journal.pcbi.1002034

Accessing a Hidden Conformation of the Maltose Binding Protein Using Accelerated Molecular Dynamics

Figure 4

Interdomain hydrogen bonds.

Two hydrogen bonds, absent in the open state (top), are formed in the semi-closed state (bottom): Trp340 (CTD) is found to interact with Asp65 (NTD), and the backbone carbonyl of Glu111 interacts with Tyr155. Both Trp340, and Tyr155 residues are sugar-stacking residues that are also involved in ligand recognition.

doi: https://doi.org/10.1371/journal.pcbi.1002034.g004