Magnesium in PDB 2wl9: Crystal Structure of Catechol 2,3-Dioxygenase

The structure of Crystal Structure of Catechol 2,3-Dioxygenase, PDB code: 2wl9 was solved by H.J.Cho, K.J.Kim, B.S.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	142.17 / 1.90
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	102.562, 102.562, 142.132, 90.00, 90.00, 90.00
R / Rfree (%)	15.055 / 17.602

The structure of Crystal Structure of Catechol 2,3-Dioxygenase also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Catechol 2,3-Dioxygenase (pdb code 2wl9). 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 Crystal Structure of Catechol 2,3-Dioxygenase, PDB code: 2wl9:

Magnesium binding site 1 out of 1 in the Crystal Structure of Catechol 2,3-Dioxygenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Catechol 2,3-Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1302 b:10.5 occ:1.00 O C:HOH2020 2.4 14.5 1.0 OD2 A:ASP155 2.4 18.3 1.0 O C:HOH2024 2.4 15.6 1.0 O A:PRO111 2.4 19.5 1.0 O C:HOH2023 2.5 18.8 1.0 OD1 A:ASP155 2.6 18.2 1.0 CG A:ASP155 2.8 19.2 1.0 C A:PRO111 3.6 19.3 1.0 OE1 C:GLU99 4.2 21.6 1.0 CA A:GLY112 4.3 18.7 1.0 CB A:ASP155 4.3 19.9 1.0 OD1 C:ASP96 4.4 21.7 1.0 N A:GLY112 4.4 18.9 1.0 O A:HOH2050 4.6 16.6 1.0 NZ C:LYS107 4.6 20.5 1.0 C A:GLY112 4.7 18.7 1.0 CA A:PRO111 4.7 19.3 1.0

H.J.Cho, K.Kim, S.Y.Sohn, H.Y.Cho, K.J.Kim, M.H.Kim, D.Kim, E.Kim, B.S.Kang. Substrate-Binding Mechanism of A Type I Extradiol Dioxygenase. J.Biol.Chem. V. 285 34643 2010.
ISSN: ISSN 0021-9258
PubMed: 20810655
DOI: 10.1074/JBC.M110.130310