Contributors

Yi Ren
Department of Chemistry, University of New South Wales, Sydney
E-mail: yi.ren6@unsw.edu.au

References

Work shortly to be published.

Comments

This is norpseudo-B₁₂, the organometallic cofactor of enzyme reductive dehalogenase PceA. The cofactor could be found in pdb number 4UQU, from the following citation:
Bommer, M., Kunze, C., Fesseler, J., Schubert, T., Diekert, G. and Dobbek, H., 2014. Structural basis for organohalide respiration. Science, 346(6208), pp.455-458.

The parameters of this organometallic cofactor, which is a form of cobalamin, is calculated by using MCPB.py in AMBER and Gaussian calculations.

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Last modified Fri Jul 14 18:15:00 BST 2006