Magnesium in PDB 4zqh: Crystal Structure of Dox-P Reductoisomerase in Complex with Nadph, Fosmidomycin and Magnesium

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

The structure of Crystal Structure of Dox-P Reductoisomerase in Complex with Nadph, Fosmidomycin and Magnesium, PDB code: 4zqh 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)	65.24 / 2.40
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	65.719, 65.719, 391.454, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 24.3

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

Magnesium binding site 1 out of 2 in the Crystal Structure of Dox-P Reductoisomerase in Complex with Nadph, 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 Dox-P Reductoisomerase in Complex with Nadph, Fosmidomycin and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:43.3 occ:1.00 OE2 A:GLU155 2.1 46.6 1.0 OD1 A:ASP153 2.1 51.2 1.0 O1 A:FOM503 2.1 43.1 1.0 O2 A:FOM503 2.2 49.3 1.0 OE2 A:GLU234 2.2 49.8 1.0 C1 A:FOM503 2.9 48.0 1.0 N1 A:FOM503 2.9 49.8 1.0 CD A:GLU155 2.9 44.9 1.0 CD A:GLU234 3.0 49.2 1.0 OE1 A:GLU155 3.0 42.2 1.0 CG A:ASP153 3.0 51.1 1.0 OD2 A:ASP153 3.4 54.4 1.0 OE1 A:GLU234 3.4 48.4 1.0 NZ A:LYS128 3.6 50.5 1.0 N A:SER154 4.0 47.6 1.0 CG A:GLU234 4.0 48.0 1.0 C5N A:NDP501 4.2 53.4 1.0 C2 A:FOM503 4.2 47.1 1.0 ND2 A:ASN230 4.2 53.2 1.0 CG A:GLU155 4.3 45.5 1.0 N A:GLU155 4.3 43.5 1.0 CB A:ASP153 4.3 48.8 1.0 C3 A:FOM503 4.4 48.4 1.0 CB A:SER154 4.5 52.1 1.0 CA A:ASP153 4.6 49.5 1.0 C A:ASP153 4.6 51.4 1.0 CB A:GLU155 4.7 44.0 1.0 CA A:SER154 4.7 49.4 1.0 CE A:LYS128 4.7 51.3 1.0 NZ A:LYS231 4.8 53.0 1.0 OD1 A:ASN230 4.8 46.0 1.0 C6N A:NDP501 4.9 53.8 1.0 CG A:ASN230 5.0 50.1 1.0 C4N A:NDP501 5.0 51.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Dox-P Reductoisomerase in Complex with Nadph, 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 Dox-P Reductoisomerase in Complex with Nadph, Fosmidomycin and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:46.9 occ:1.00 OE2 B:GLU155 2.2 42.8 1.0 O2 B:FOM504 2.2 48.5 1.0 OD1 B:ASP153 2.2 46.8 1.0 OE2 B:GLU234 2.2 52.9 1.0 O1 B:FOM504 2.2 46.0 1.0 N1 B:FOM504 2.9 48.9 1.0 C1 B:FOM504 2.9 48.2 1.0 CD B:GLU155 2.9 43.3 1.0 CD B:GLU234 3.0 52.7 1.0 OE1 B:GLU155 3.0 43.7 1.0 CG B:ASP153 3.1 51.1 1.0 OE1 B:GLU234 3.5 55.2 1.0 OD2 B:ASP153 3.5 51.0 1.0 NZ B:LYS128 3.6 54.7 1.0 N B:SER154 4.0 49.0 1.0 CG B:GLU234 4.1 52.0 1.0 ND2 B:ASN230 4.2 54.9 1.0 C2 B:FOM504 4.2 45.7 1.0 C5N B:NDP502 4.2 55.9 1.0 C3 B:FOM504 4.2 47.8 1.0 CG B:GLU155 4.3 45.1 1.0 N B:GLU155 4.3 45.1 1.0 CB B:ASP153 4.4 48.0 1.0 CB B:SER154 4.4 50.1 1.0 CA B:ASP153 4.6 50.0 1.0 C B:ASP153 4.6 52.2 1.0 CB B:GLU155 4.7 44.5 1.0 CA B:SER154 4.7 47.8 1.0 NZ B:LYS231 4.8 54.8 1.0 CE B:LYS128 4.8 54.4 1.0 OD1 B:ASN230 4.8 47.5 1.0 C4N B:NDP502 4.9 53.0 1.0 CG B:ASN230 4.9 51.0 1.0 C6N B:NDP502 5.0 56.0 1.0

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