CATALYTIC METAL(S)

Metal/Site Information
Residue in MACiE* Atom in MACiE* Residue Type in MACiE Physiological
Metal
Site
Type
Function(s)
CA 501 ACA calcium calcium mononuclear Structural (in the active site)
CA 502 ACA calcium calcium mononuclear Structural (in the active site)
HEM 350 AFE iron iron haem Coordinates substrate
One electron donor
Radical stabiliser
One electron acceptor

*It refers to the MACiE reference pdb: 7atj

Metal/s Properties in Resting State
CA 501 A
Oxidation State 2
Coordination Geometry pentagonalBipyramidal
Coordination Number 7
Notes -
CA 502 A
Oxidation State 2
Coordination Geometry pentagonalBipyramidal
Coordination Number 8
Notes -
HEM 350 A
Oxidation State 3
Coordination Geometry octahedral
Coordination Number 6
Notes -


References
-Laberge M, Huang Q, Schweitzer-Stenner R, Fidy J
The endogenous calcium ions of horseradish peroxidase C are required to maintain the functional nonplanarity of the heme.
Biophys J. 2003 Apr;84(4):2542-52.(MEDLINE:12668462)
-Derat E, Shaik S
An efficient proton-coupled electron-transfer process during oxidation of ferulic acid by horseradish peroxidase: coming full cycle.
J Am Chem Soc. 2006 Oct 25;128(42):13940-9.(MEDLINE:17044722)