CATALYTIC METAL(S)

Metal/Site Information
Residue in MACiE* Atom in MACiE* Residue Type in MACiE Physiological
Metal
Site
Type
Function(s)
MN 398 AMN manganese divalent cation mononuclear Increases acidity
Increases nucleophilicity
MN 399 AMN manganese divalent cation mononuclear Coordinates substrate
Electrostatic stabiliser

*It refers to the MACiE reference pdb: 1xld

Metal/s Properties in Resting State
MN 398 A
Oxidation State 2
Coordination Geometry octahedral
Coordination Number 6
Notes -
MN 399 A
Oxidation State 2
Coordination Geometry octahedral
Coordination Number 6
Notes -


References
-Evans G, Bricogne G
Triiodide derivatization and combinatorial counter-ion replacement: two methods for enhancing phasing signal using laboratory Cu Kalpha X-ray equipment.
Acta Crystallogr D Biol Crystallogr. 2002 Jun;58(Pt 6 Pt 2):976-91. Epub 2002 May 29.(MEDLINE:12037300)
-Fenn TD, Ringe D, Petsko GA
Xylose isomerase in substrate and inhibitor michaelis states: atomic resolution studies of a metal-mediated hydride shift.
Biochemistry. 2004 Jun 1;43(21):6464-74.(MEDLINE:15157080)
-Carrell HL, Hoier H, Glusker JP
Modes of binding substrates and their analogues to the enzyme D-xylose isomerase.
Acta Crystallogr D Biol Crystallogr. 1994 Mar 1;50(Pt 2):113-23.(MEDLINE:15299449)
-Collyer CA, Henrick K, Blow DM
Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J Mol Biol. 1990 Mar 5;212(1):211-35.(MEDLINE:2319597)