CATALYTIC METAL(S)

Metal/Site Information
Residue in MACiE* Atom in MACiE* Residue Type in MACiE Physiological
Metal
Site
Type
Function(s)
FES 451 AFE1,FE2 iron iron Fe2S2 One electron acceptor
One electron donor
FE 452 AFE iron iron mononuclear One electron donor
Coordinates substrate
One electron acceptor
FE(not in PDB) 1 xFE iron iron Fe2S2 Electron relay
FE(not in PDB) 2 xFE iron iron Fe2S2 Electron relay

*It refers to the MACiE reference pdb: 1ndo

Metal/s Properties in Resting State
FES 451 A
Oxidation State 2
Coordination Geometry tetrahedral
Coordination Number 4
Notes -
FE 452 A
Oxidation State 2
Coordination Geometry squarePyramidal
Coordination Number 5
Notes -
FE(not in PDB) 1 x
Oxidation State 2
Coordination Geometry tetrahedral
Coordination Number 4
Notes -
FE(not in PDB) 2 x
Oxidation State 2
Coordination Geometry tetrahedral
Coordination Number 4
Notes -
N.B.The coordination number and the geometry refer to each single iron in the iron-sulfur cluster whereas the oxidation state is the formal oxidation state of the whole cluster.


References
-Karlsson A, Parales JV, Parales RE, Gibson DT, Eklund H, Ramaswamy S, Science. 2003 Feb 14;299(5609):1024-5.
Crystal structure of naphthalene dioxygenase: side-on binding of dioxygen to iron.
Science. 2003 Feb 14;299(5609):1039-42.(MEDLINE:12586937)
- Some information have been also deduced from the MACiE mechanism model