Magnesium in PDB 5ui9: Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, 2 -Hydroxy-2-Hydroxymethyl Propanoic Acid and Magnesium

The structure of Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, 2 -Hydroxy-2-Hydroxymethyl Propanoic Acid and Magnesium, PDB code: 5ui9 was solved by W.J.Cook, A.A.Fedorov, E.V.Fedorov, H.Huang, J.B.Bonanno, J.A.Gerlt, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.13 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	137.881, 112.771, 65.371, 90.00, 94.70, 90.00
R / Rfree (%)	18.3 / 20.2

The binding sites of Magnesium atom in the Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, 2 -Hydroxy-2-Hydroxymethyl Propanoic Acid and Magnesium (pdb code 5ui9). 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 An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, 2 -Hydroxy-2-Hydroxymethyl Propanoic Acid and Magnesium, PDB code: 5ui9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, 2 -Hydroxy-2-Hydroxymethyl Propanoic Acid 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 An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, 2 -Hydroxy-2-Hydroxymethyl Propanoic Acid and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:40.1 occ:1.00 O A:ALA30 2.2 42.5 1.0 O A:HOH593 2.3 44.4 1.0 O A:VAL27 2.3 42.6 1.0 O A:TRP24 2.4 37.3 1.0 O A:LYS25 2.8 40.9 1.0 C A:LYS25 3.4 42.3 1.0 C A:ALA30 3.4 40.3 1.0 C A:VAL27 3.5 42.2 1.0 C A:TRP24 3.5 36.3 1.0 CA A:LYS25 3.7 43.2 1.0 N A:VAL27 3.8 39.7 1.0 CA A:VAL27 4.0 40.6 1.0 N A:LYS25 4.1 39.6 1.0 CA A:GLY31 4.1 38.5 1.0 CB A:VAL27 4.2 40.4 1.0 N A:GLY31 4.2 38.8 1.0 C A:ASP26 4.3 40.1 1.0 N A:ASP26 4.3 40.8 1.0 N A:ALA30 4.5 40.2 1.0 OE1 A:GLU5 4.5 65.3 1.0 CA A:ALA30 4.6 39.8 1.0 N A:LYS28 4.6 42.5 1.0 O A:HOH584 4.6 34.7 1.0 CA A:TRP24 4.7 33.9 1.0 CG1 A:VAL27 4.8 40.2 1.0 CA A:ASP26 4.8 41.2 1.0 O A:ASP26 4.9 40.2 1.0 CA A:LYS28 5.0 46.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, 2 -Hydroxy-2-Hydroxymethyl Propanoic Acid 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 An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, 2 -Hydroxy-2-Hydroxymethyl Propanoic Acid and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:49.0 occ:1.00 O B:ALA30 2.2 47.9 1.0 O B:TRP24 2.3 50.2 1.0 O B:VAL27 2.4 51.0 1.0 O B:HOH519 2.4 49.4 1.0 O B:HOH618 2.6 54.2 1.0 O B:LYS25 2.8 50.5 1.0 C B:ALA30 3.4 46.9 1.0 C B:LYS25 3.4 51.6 1.0 C B:VAL27 3.5 49.7 1.0 C B:TRP24 3.5 46.5 1.0 N B:VAL27 3.7 47.5 1.0 CA B:LYS25 3.7 53.1 1.0 CA B:VAL27 4.0 47.6 1.0 N B:LYS25 4.1 49.2 1.0 OE2 B:GLU5 4.1 75.5 1.0 CA B:GLY31 4.1 46.6 1.0 N B:GLY31 4.1 46.4 1.0 CB B:VAL27 4.3 47.3 1.0 C B:ASP26 4.3 49.6 1.0 N B:ASP26 4.3 48.7 1.0 N B:ALA30 4.5 49.0 1.0 CA B:ALA30 4.5 47.7 1.0 O B:HOH595 4.6 41.5 1.0 N B:LYS28 4.6 49.9 1.0 CD B:GLU5 4.7 72.1 1.0 CA B:TRP24 4.7 44.3 1.0 OE1 B:GLU5 4.7 66.7 1.0 CA B:ASP26 4.8 50.3 1.0 O B:ASP26 4.9 49.6 1.0 CG1 B:VAL27 5.0 48.6 1.0

W.J.Cook, A.A.Fedorov, E.V.Fedorov, H.Huang, J.B.Bonanno, J.A.Gerlt, S.C.Almo. Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, 2 -Hydroxy-2-Hydroxymethyl Propanoic Acid and Magnesium To Be Published.