Magnesium in PDB 4a7k: Bifunctional Aldos-2-Ulose Dehydratase

All present enzymatic activity of Bifunctional Aldos-2-Ulose Dehydratase:
4.2.1.110;

The structure of Bifunctional Aldos-2-Ulose Dehydratase, PDB code: 4a7k 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)	35.97 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	132.990, 79.740, 96.880, 90.00, 90.00, 90.00
R / Rfree (%)	17.177 / 21.907

The structure of Bifunctional Aldos-2-Ulose Dehydratase also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Magnesium atom in the Bifunctional Aldos-2-Ulose Dehydratase (pdb code 4a7k). 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 Bifunctional Aldos-2-Ulose Dehydratase, PDB code: 4a7k:

Magnesium binding site 1 out of 1 in the Bifunctional 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 Bifunctional Aldos-2-Ulose Dehydratase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg953 b:34.3 occ:1.00 OD1 A:ASP101 2.2 31.4 1.0 O A:PHE107 2.3 29.0 1.0 OD2 A:ASP109 2.4 28.6 1.0 OD1 A:ASN105 2.5 30.8 1.0 OG1 A:THR103 2.6 33.4 1.0 O A:HOH2068 2.8 30.4 1.0 CG A:ASP101 3.3 31.1 1.0 CG A:ASP109 3.3 29.1 1.0 CG A:ASN105 3.4 33.1 1.0 C A:PHE107 3.4 28.9 1.0 OD1 A:ASP109 3.6 28.7 1.0 N A:THR103 3.7 31.5 1.0 CB A:THR103 3.9 34.4 1.0 CA A:ASP101 3.9 27.4 1.0 N A:PHE107 4.0 32.4 1.0 N A:ASN105 4.0 35.4 1.0 ND2 A:ASN105 4.0 32.9 1.0 N A:LYS104 4.1 33.8 1.0 N A:ILE102 4.1 28.6 1.0 CA A:PHE107 4.1 30.7 1.0 OD2 A:ASP101 4.1 34.9 1.0 C A:ASP101 4.1 29.0 1.0 CA A:THR103 4.1 33.4 1.0 CB A:ASP101 4.2 28.9 1.0 CB A:PHE107 4.3 31.2 1.0 C A:THR103 4.3 34.5 1.0 N A:ASP109 4.5 26.3 1.0 N A:ASN108 4.5 27.5 1.0 CB A:ASN105 4.5 34.6 1.0 CG2 A:THR103 4.6 34.6 1.0 CB A:ASP109 4.7 26.6 1.0 N A:GLY106 4.7 33.4 1.0 C A:ILE102 4.7 31.3 1.0 C A:ASN108 4.7 26.9 1.0 CA A:ASN105 4.7 35.4 1.0 CA A:ASN108 4.7 26.1 1.0 O A:ASP101 4.9 28.9 1.0 CA A:LYS104 4.9 34.8 1.0 CA A:ILE102 4.9 29.3 1.0 O A:ALA100 4.9 26.9 1.0 C A:ASN105 4.9 34.8 1.0 C A:LYS104 4.9 36.6 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