CATALYTIC METAL(S)

Metal/Site Information
Residue in MACiE* Atom in MACiE* Residue Type in MACiE Physiological
Metal
Site
Type
Function(s)
FES 3001 AFE1,FE2 iron iron Fe2S2 Electron relay
FES 3002 AFE1,FE2 iron iron Fe2S2 Electron relay
MOS 3004 xMO molybdenum molybdenum molybdopterin Coordinates substrate
Electron pair acceptor
One electron donor
Increases nucleophilicity

*It refers to the MACiE reference pdb: 1v97

Metal/s Properties in Resting State
FES 3001 A
Oxidation State 2
Coordination Geometry tetrahedral
Coordination Number 4
Notes -
FES 3002 A
Oxidation State 2
Coordination Geometry tetrahedral
Coordination Number 4
Notes -
MOS 3004 x
Oxidation State 6
Coordination Geometry squarePyramidal
Coordination Number 5
Notes -


References
-Okamoto K, Matsumoto K, Hille R, Eger BT, Pai EF, Nishino T
The crystal structure of xanthine oxidoreductase during catalysis: implications for reaction mechanism and enzyme inhibition.
Proc Natl Acad Sci U S A. 2004 May 25;101(21):7931-6. Epub 2004 May 17.(MEDLINE:15148401)