Magnesium in PDB 3th1: Crystal Structure of Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida

The structure of Crystal Structure of Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida, PDB code: 3th1 was solved by J.K.Rustiguel, M.C.Nonato, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.18 / 3.40
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.570, 97.570, 423.600, 90.00, 90.00, 120.00
R / Rfree (%)	22.7 / 27.9

The structure of Crystal Structure of Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida (pdb code 3th1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida, PDB code: 3th1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida


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 Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:25.0 occ:1.00 ND2 A:ASN153 3.1 36.4 1.0 O A:GLY104 4.1 31.9 1.0 N A:GLY104 4.2 28.6 1.0 O A:HOH268 4.2 45.4 0.6 CG A:ASN153 4.3 36.6 1.0 CA A:GLY104 4.5 30.1 1.0 CB A:ARG103 4.6 26.7 1.0 C A:GLY104 4.6 31.3 1.0 CB A:ASN153 4.9 35.6 1.0 MG A:MG304 4.9 29.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:29.5 occ:1.00 OD2 A:ASP241 3.7 33.4 1.0 CG2 A:THR239 3.7 38.6 1.0 OD1 A:ASP241 3.7 40.5 1.0 CG A:ASP241 4.1 39.7 1.0 O A:HOH268 4.5 45.4 0.6 MG A:MG303 4.9 25.0 1.0

J.K.Rustiguel, L.R.S.Barbosa, A.P.U.Araujo, M.C.Nonato. Crystal Structure of Chlorocatechol 1,2-Dioxygenase From Pseudomonas Putida To Be Published.