Water complexes of cytochrome P450 : insights from energy decomposition analysis
Water is a small molecule that nevertheless perturbs, sometimes significantly, the electronic properties of an enzyme's active site. In this study, interactions of a water molecule with the ferric heme and the compound I (Cpd I) intermediate of cytochrome P450 are studied. Energy decomposition...
Main Authors: | Thellamurege, Nandun, Hirao, Hajime |
---|---|
Other Authors: | School of Physical and Mathematical Sciences |
Format: | Journal Article |
Language: | English |
Published: |
2013
|
Online Access: | https://hdl.handle.net/10356/98492 http://hdl.handle.net/10220/12427 |
Similar Items
Butane and propane oxidation by engineered cytochrome P450cam.
by: Bell, S, et al.
Published: (2002)
by: Bell, S, et al.
Published: (2002)
Similar Items
-
Importance of H-abstraction in the final step of nitrosoalkane formation in the mechanism-based inactivation of cytochrome P450 by amine-containing drugs
by: Xu, Kai, et al.
Published: (2014) -
Applications of density functional theory to iron-containing molecules of bioinorganic interest
by: Hirao, Hajime, et al.
Published: (2017) -
Synergistic Charge Transfer Effect in Ferrous Heme–CO Bonding within Cytochrome P450
by: Enhua Zhang, et al.
Published: (2024-02-01) -
Pivotal role of water in terminating enzymatic function : a density functional theory study of the mechanism-based inactivation of cytochromes P450
by: Hirao, Hajime, et al.
Published: (2013) -
Cytochrome P450 monooxygenases.
by: Wong, L
Published: (1998)