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. Author manuscript; available in PMC: 2012 Apr 16.
Published in final edited form as: J Endocrinol. 2011 Jun 3;210(3):271–284. doi: 10.1530/JOE-11-0083

Figure 9.

Figure 9

Molecular dynamic simulations identify the amino acids in the flexible arm of human eNOS responsible for closure of the heme cavity. Superposition of intact eNOS (green) and with disrupted ZnS4 (yellow) represents the flexible arm movement. Molecular dynamic simulations predict conformational changes in the flexible arm region that are driven by salt bridge formation between positively charged amino acids (blue) of the flexible arm (Arg107, Lys108, and Arg112) and negatively charged amino acids on the wall of the substrate channel.