CATALYTIC METAL(S)

Metal/Site Information
Residue in MACiE* Atom in MACiE* Residue Type in MACiE Physiological
Metal
Site
Type
Function(s)
FES 3907 xFE1,FE2 iron iron Fe2S2 Electron relay
FES 3908 xFE1,FE2 iron iron Fe2S2 Electron relay
CUB 3921 xCU copper copper dinuclear Coordinates substrate
CUB 3921 xMO molybdenum molybdenum dinuclear Coordinates substrate
Electron pair acceptor
One electron donor
Increases acidity

*It refers to the MACiE reference pdb: 1n62

Metal/s Properties in Resting State
FES 3907 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 3908 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.
CUB 3921 x
Oxidation State 1
Coordination Geometry trigonalPlanar
Coordination Number 3
Notes -
CUB 3921 x
Oxidation State 6
Coordination Geometry octahedral
Coordination Number 6
Notes -


References
-Dobbek H, Gremer L, Kiefersauer R, Huber R, Meyer O
Catalysis at a dinuclear [CuSMo(==O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution.
Proc Natl Acad Sci U S A. 2002 Dec 10;99(25):15971-6.(MEDLINE:12475995)
- Some information have been also deduced from the MACiE mechanism model