CATALYTIC METAL(S)

Metal/Site Information
Residue in MACiE* Atom in MACiE* Residue Type in MACiE Physiological
Metal
Site
Type
Function(s)
ZN 1 AZN zinc zinc dinuclear Coordinates substrate
Increases nucleophilicity
Electrostatic stabiliser
Increases acidity
ZN 2 AZN zinc zinc dinuclear Coordinates substrate
Increases nucleophilicity
Increases electrophilicity
Increases acidity
Electrostatic stabiliser

*It refers to the MACiE reference pdb: 1znb

Metal/s Properties in Resting State
ZN 1 A
Oxidation State 2
Coordination Geometry tetrahedral
Coordination Number 4
Notes -
ZN 2 A
Oxidation State 2
Coordination Geometry trigonalBipyramidal
Coordination Number 5
Notes -


References
-Spencer J, Read J, Sessions RB, Howell S, Blackburn GM, Gamblin SJ
Antibiotic recognition by binuclear metallo-beta-lactamases revealed by X-ray crystallography.
J Am Chem Soc. 2005 Oct 19;127(41):14439-44.(MEDLINE:16218639)
- Some information have been also deduced from the MACiE mechanism model