CATALYTIC METAL(S)

Metal/Site Information
Residue in MACiE* Atom in MACiE* Residue Type in MACiE Physiological
Metal
Site
Type
Function(s)
FES 908 xFE1,FE2 iron iron Fe2S2 Electron relay
FES 909 xFE1,FE2 iron iron Fe2S2 Electron relay
PCD 921 xMO molybdenum molybdenum molybdopterin Increases nucleophilicity
Coordinates substrate
Electron pair acceptor
One electron donor

*It refers to the MACiE reference pdb: 1vlb

Metal/s Properties in Resting State
FES 908 x
Oxidation State 2
Coordination Geometry tetrahedral
Coordination Number 4
Notes 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.
FES 909 x
Oxidation State 3
Coordination Geometry tetrahedral
Coordination Number 4
Notes 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.
PCD 921 x
Oxidation State 6
Coordination Geometry squarePyramidal
Coordination Number 5
Notes -


References
-Barata BA, LeGall J, Moura JJ
Aldehyde oxidoreductase activity in Desulfovibrio gigas: in vitro reconstitution of an electron-transfer chain from aldehydes to the production of molecular hydrogen.
Biochemistry. 1993 Nov 2;32(43):11559-68.(MEDLINE:8218223)
- Some information have been also deduced from the MACiE mechanism model