Magnesium in PDB 4a7y: Active Site Metal Depleted Aldos-2-Ulose Dehydratase

All present enzymatic activity of Active Site Metal Depleted Aldos-2-Ulose Dehydratase:
4.2.1.110;

The structure of Active Site Metal Depleted Aldos-2-Ulose Dehydratase, PDB code: 4a7y was solved by M.Claesson, Y.Lindqvist, S.Madrid, T.Sandalova, R.Fiskesund, S.Yu, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.81 / 2.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	132.410, 82.240, 97.600, 90.00, 90.00, 90.00
R / Rfree (%)	18.344 / 26.14

The structure of Active Site Metal Depleted Aldos-2-Ulose Dehydratase also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the Active Site Metal Depleted Aldos-2-Ulose Dehydratase (pdb code 4a7y). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Active Site Metal Depleted Aldos-2-Ulose Dehydratase, PDB code: 4a7y:

Magnesium binding site 1 out of 1 in the Active Site Metal Depleted Aldos-2-Ulose Dehydratase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Active Site Metal Depleted Aldos-2-Ulose Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg952 b:44.2 occ:1.00 OD1 A:ASP101 1.9 42.3 1.0 OD2 A:ASP109 1.9 43.0 1.0 OG1 A:THR103 2.1 44.8 1.0 OD1 A:ASN105 2.6 41.8 1.0 O A:PHE107 2.6 42.5 1.0 CG A:ASP109 3.0 42.7 1.0 CG A:ASP101 3.2 40.3 1.0 N A:THR103 3.2 40.7 1.0 CB A:THR103 3.3 44.5 1.0 OD1 A:ASP109 3.5 43.8 1.0 CG A:ASN105 3.6 44.2 1.0 CA A:THR103 3.7 42.9 1.0 C A:PHE107 3.8 42.7 1.0 N A:ILE102 3.8 37.2 1.0 CA A:ASP101 3.9 35.8 1.0 N A:LYS104 4.0 42.4 1.0 C A:ASP101 4.0 36.9 1.0 CB A:ASP101 4.0 37.4 1.0 CG2 A:THR103 4.1 44.2 1.0 OD2 A:ASP101 4.1 41.2 1.0 C A:THR103 4.1 43.4 1.0 ND2 A:ASN105 4.2 45.1 1.0 N A:ASN105 4.2 44.7 1.0 C A:ILE102 4.3 40.0 1.0 CB A:ASP109 4.3 40.9 1.0 N A:PHE107 4.3 44.6 1.0 CA A:PHE107 4.4 43.6 1.0 CB A:PHE107 4.5 44.6 1.0 N A:ASP109 4.5 40.5 1.0 CA A:ILE102 4.6 38.0 1.0 CB A:ASN105 4.7 46.5 1.0 O A:ASP101 4.8 37.1 1.0 C A:ASN108 4.8 41.3 1.0 N A:ASN108 4.8 41.9 1.0 CA A:ASN105 4.9 46.4 1.0 N A:GLY106 4.9 44.5 1.0 CA A:ASN108 5.0 41.0 1.0 CA A:LYS104 5.0 43.1 1.0

M.Claesson, Y.Lindqvist, S.Madrid, T.Sandalova, R.Fiskesund, S.Yu, G.Schneider. Crystal Structure of Bifunctional Aldos-2-Ulose Dehydratase/Isomerase From Phanerochaete Chrysosporium with the Reaction Intermediate Ascopyrone M. J.Mol.Biol. V. 417 279 2012.
ISSN: ISSN 0022-2836
PubMed: 22330145
DOI: 10.1016/J.JMB.2012.02.001