Magnesium in PDB 4u9u: Crystal Structure of Nqrf Fad-Binding Domain From Vibrio Cholerae

The structure of Crystal Structure of Nqrf Fad-Binding Domain From Vibrio Cholerae, PDB code: 4u9u was solved by G.Fritz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.430, 89.070, 90.480, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 19.6

The structure of Crystal Structure of Nqrf Fad-Binding Domain From Vibrio Cholerae also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Nqrf Fad-Binding Domain From Vibrio Cholerae (pdb code 4u9u). 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 Nqrf Fad-Binding Domain From Vibrio Cholerae, PDB code: 4u9u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Nqrf Fad-Binding Domain From Vibrio Cholerae


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 Nqrf Fad-Binding Domain From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1503 b:28.7 occ:1.00 O A:LYS143 2.3 24.1 1.0 O A:ARG315 2.4 29.1 1.0 O A:HOH1783 2.4 45.1 1.0 O A:MET317 2.5 28.3 1.0 O A:HOH1852 2.5 47.4 1.0 OH A:TYR188 2.5 29.7 1.0 C A:LYS143 3.4 23.6 1.0 C A:ARG315 3.5 28.6 1.0 CZ A:TYR188 3.6 27.0 1.0 C A:MET317 3.6 28.1 1.0 CE1 A:TYR188 3.8 25.2 1.0 N A:MET317 4.0 26.4 1.0 O A:HOH1843 4.1 55.9 1.0 C A:GLU316 4.1 23.6 1.0 N A:ALA144 4.2 26.6 1.0 CA A:ARG315 4.3 28.4 1.0 NZ A:LYS187 4.3 57.1 1.0 CA A:LYS143 4.3 23.2 1.0 CB A:PHE318 4.3 23.2 1.0 N A:GLU316 4.4 27.0 1.0 CA A:ALA144 4.4 23.1 1.0 CA A:GLU316 4.4 24.2 1.0 CA A:MET317 4.4 26.9 0.4 CA A:MET317 4.4 25.6 0.6 N A:PHE318 4.6 24.8 1.0 O A:GLU316 4.6 24.9 1.0 CA A:PHE318 4.6 24.0 1.0 CE A:LYS187 4.7 52.1 1.0 O A:LYS314 4.7 31.0 1.0 CE2 A:TYR188 4.8 26.0 1.0 CD1 A:PHE318 4.9 21.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Nqrf Fad-Binding Domain From Vibrio Cholerae


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 Nqrf Fad-Binding Domain From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1503 b:28.1 occ:1.00 O B:HOH1806 2.2 43.1 1.0 O B:LYS143 2.3 25.0 1.0 O B:MET317 2.4 23.2 1.0 O B:ARG315 2.4 27.6 1.0 OH B:TYR188 2.5 33.8 1.0 O B:HOH1767 2.9 43.8 1.0 C B:LYS143 3.4 24.4 1.0 C B:ARG315 3.5 28.9 1.0 CZ B:TYR188 3.6 35.1 1.0 C B:MET317 3.6 21.2 1.0 CE1 B:TYR188 3.8 35.8 1.0 O B:HOH1804 4.0 43.5 1.0 CA B:ALA144 4.1 22.6 1.0 N B:MET317 4.1 23.7 1.0 N B:ALA144 4.1 23.3 1.0 C B:GLU316 4.2 24.8 1.0 CB B:PHE318 4.2 21.5 1.0 CA B:ARG315 4.3 27.5 1.0 N B:GLU316 4.4 22.4 1.0 CA B:GLU316 4.4 25.6 1.0 O B:HOH1846 4.4 56.8 1.0 N B:PHE318 4.5 21.7 1.0 CA B:LYS143 4.5 21.3 1.0 CA B:MET317 4.5 22.4 0.5 CA B:MET317 4.5 22.5 0.5 CA B:PHE318 4.5 20.6 1.0 O B:GLU316 4.6 24.6 1.0 CB B:ALA144 4.8 22.6 1.0 CE B:LYS187 4.8 60.8 1.0 O B:LYS314 4.8 26.8 1.0 CE2 B:TYR188 4.8 34.0 1.0

J.Steuber, G.Vohl, M.S.Casutt, T.Vorburger, K.Diederichs, G.Fritz. Structure of the V. Cholerae Na+-Pumping Nadh:Quinone Oxidoreductase Nature 2014.
ISSN: ESSN 1476-4687
DOI: 10.1038/NATURE14003