Magnesium in PDB 4zqg: Crystal Structure of the Moraxella Catarrhalis Dox-P Reductoisomerase in Complex with Nadh, Fosmidomycin and Magnesium

All present enzymatic activity of Crystal Structure of the Moraxella Catarrhalis Dox-P Reductoisomerase in Complex with Nadh, Fosmidomycin and Magnesium:
1.1.1.267;

The structure of Crystal Structure of the Moraxella Catarrhalis Dox-P Reductoisomerase in Complex with Nadh, Fosmidomycin and Magnesium, PDB code: 4zqg was solved by R.W.Birkinshaw, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.50 / 2.50
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	65.719, 65.719, 390.106, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 23

The binding sites of Magnesium atom in the Crystal Structure of the Moraxella Catarrhalis Dox-P Reductoisomerase in Complex with Nadh, Fosmidomycin and Magnesium (pdb code 4zqg). 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 the Moraxella Catarrhalis Dox-P Reductoisomerase in Complex with Nadh, Fosmidomycin and Magnesium, PDB code: 4zqg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Moraxella Catarrhalis Dox-P Reductoisomerase in Complex with Nadh, Fosmidomycin and Magnesium


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 the Moraxella Catarrhalis Dox-P Reductoisomerase in Complex with Nadh, Fosmidomycin and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:56.6 occ:1.00 OD1 A:ASP153 2.1 59.0 1.0 O2 A:FOM503 2.1 60.0 1.0 OE2 A:GLU234 2.1 56.5 1.0 OE2 A:GLU155 2.2 55.1 1.0 O1 A:FOM503 2.2 58.2 1.0 N1 A:FOM503 2.8 59.4 1.0 C1 A:FOM503 2.8 59.4 1.0 CD A:GLU155 2.9 53.5 1.0 OE1 A:GLU155 3.0 53.3 1.0 CG A:ASP153 3.0 61.0 1.0 CD A:GLU234 3.1 56.5 1.0 OD2 A:ASP153 3.2 64.6 1.0 OE1 A:GLU234 3.6 59.8 1.0 NZ A:LYS128 3.9 66.1 1.0 N A:SER154 4.0 54.2 1.0 ND2 A:ASN230 4.1 58.0 1.0 C5N A:NAD501 4.1 64.8 1.0 C2 A:FOM503 4.2 58.8 1.0 CG A:GLU234 4.2 56.3 1.0 C3 A:FOM503 4.2 58.9 1.0 CG A:GLU155 4.3 53.5 1.0 CB A:ASP153 4.3 56.7 1.0 N A:GLU155 4.4 53.1 1.0 CB A:SER154 4.5 61.6 1.0 C A:ASP153 4.6 53.9 1.0 CA A:ASP153 4.7 55.1 1.0 NZ A:LYS231 4.7 54.0 1.0 CA A:SER154 4.8 57.0 1.0 CE A:LYS128 4.8 63.7 1.0 CB A:GLU155 4.8 52.3 1.0 OD1 A:ASN230 4.8 55.7 1.0 C6N A:NAD501 4.8 66.7 1.0 C4N A:NAD501 4.9 64.7 1.0 CG A:ASN230 4.9 56.8 1.0 CD1 A:ILE221 5.0 60.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Moraxella Catarrhalis Dox-P Reductoisomerase in Complex with Nadh, Fosmidomycin and Magnesium


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 the Moraxella Catarrhalis Dox-P Reductoisomerase in Complex with Nadh, Fosmidomycin and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:52.2 occ:1.00 OD1 B:ASP153 2.1 57.9 1.0 OE2 B:GLU155 2.1 53.7 1.0 OE2 B:GLU234 2.1 58.1 1.0 O2 B:FOM503 2.1 63.7 1.0 O1 B:FOM503 2.2 53.3 1.0 N1 B:FOM503 2.8 60.0 1.0 C1 B:FOM503 2.8 57.9 1.0 CD B:GLU155 2.8 50.2 1.0 OE1 B:GLU155 2.9 51.6 1.0 CG B:ASP153 3.0 61.5 1.0 CD B:GLU234 3.0 57.0 1.0 OD2 B:ASP153 3.2 71.3 1.0 OE1 B:GLU234 3.5 59.6 1.0 NZ B:LYS128 3.9 67.4 1.0 N B:SER154 4.0 53.0 1.0 C2 B:FOM503 4.1 57.3 1.0 ND2 B:ASN230 4.1 58.2 1.0 C3 B:FOM503 4.2 58.2 1.0 CG B:GLU234 4.2 56.5 1.0 C5N B:NAD501 4.2 63.9 1.0 CG B:GLU155 4.3 50.6 1.0 CB B:ASP153 4.3 57.2 1.0 N B:GLU155 4.3 52.7 1.0 CB B:SER154 4.5 65.2 1.0 C B:ASP153 4.6 51.5 1.0 CA B:ASP153 4.7 54.1 1.0 NZ B:LYS231 4.7 49.6 1.0 CA B:SER154 4.8 57.3 1.0 CB B:GLU155 4.8 49.8 1.0 CE B:LYS128 4.8 64.8 1.0 OD1 B:ASN230 4.8 52.2 1.0 C6N B:NAD501 4.9 62.9 1.0 CG B:ASN230 5.0 53.1 1.0 C4N B:NAD501 5.0 61.8 1.0

R.W.Birkinshaw, R.L.Brady. Crystal Structures of the Moraxella Catarrhalis Dox-P Reductoisomerase To Be Published.