Molecular Dynamics Studies on the Conformational Transitions of Adenylate Kinase: A Computational Evidence for the Conformational Selection Mechanism
Figure 4
Conformational transition pathway and proposed catalytic mechanism of ADK. Model a, substrate free ADK with an open conformation. Model b, ATP bound form of ADK with a closed LID domain. Model c, ATP and AMP bound form of ADK with a closed conformation. Model d, two ADP bound forms of ADK with a closed conformation. Model e, one ADP bound form of ADK with a closed NMP domain.