Summary

Summary of key findings and ideas:

1.       The overall structure and active site of G. stearothermophilus qNOR had been illucidated by X-ray crystallography. The qNOR structure was compared to its close relative cNOR and important similarities and differences were noted.

2.       Proposed mechanism for proton transfer via an internal hydrophilic channel using molecular dynamics simulation.

3.       Proposed mechanism for electron transfer by analyzing co-crystal structure of the enzyme bound to HQNO.

4.       Differences between structures of NORs and cbb3 oxidase, including binuclear centres and key residue differences.