Magnesium in PDB 5uib: Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, L-Tartaric Acid and Magnesium

The structure of Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, L-Tartaric Acid and Magnesium, PDB code: 5uib 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)	26.60 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	138.622, 113.109, 65.820, 90.00, 94.61, 90.00
R / Rfree (%)	20.4 / 23.9

The binding sites of Magnesium atom in the Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, L-Tartaric Acid and Magnesium (pdb code 5uib). 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+, L-Tartaric Acid and Magnesium, PDB code: 5uib:
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+, L-Tartaric 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+, L-Tartaric Acid and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:60.8 occ:1.00 O A:ALA30 2.6 53.0 1.0 O A:VAL27 2.6 54.6 1.0 O A:TRP24 2.7 52.5 1.0 O A:LYS25 2.8 59.6 1.0 C A:LYS25 3.4 56.8 1.0 CA A:LYS25 3.8 55.9 1.0 C A:VAL27 3.8 54.5 1.0 C A:ALA30 3.8 53.2 1.0 C A:TRP24 3.8 51.6 1.0 N A:VAL27 4.1 54.0 1.0 OE1 A:GLU5 4.2 72.4 1.0 N A:LYS25 4.3 53.4 1.0 CA A:GLY31 4.3 52.5 1.0 CA A:VAL27 4.4 53.8 1.0 N A:ASP26 4.4 56.5 1.0 N A:GLY31 4.5 53.0 1.0 C A:ASP26 4.5 55.6 1.0 N A:ALA30 4.7 54.7 1.0 CB A:VAL27 4.8 52.9 1.0 N A:LYS28 4.9 54.7 1.0 CA A:ALA30 4.9 53.9 1.0 CA A:ASP26 5.0 56.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, L-Tartaric 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+, L-Tartaric Acid and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:63.1 occ:1.00 O B:ALA30 2.3 63.2 1.0 O B:TRP24 2.5 62.9 1.0 O B:LYS25 2.9 65.7 1.0 O B:VAL27 3.0 64.7 1.0 C B:LYS25 3.5 64.4 1.0 C B:ALA30 3.5 63.0 1.0 C B:TRP24 3.6 61.1 1.0 CA B:LYS25 3.7 64.0 1.0 OE2 B:GLU5 3.8 76.8 1.0 OE1 B:GLU5 3.8 75.7 1.0 CA B:GLY31 4.0 62.8 1.0 N B:LYS25 4.0 61.8 1.0 C B:VAL27 4.2 64.0 1.0 CD B:GLU5 4.2 77.0 1.0 N B:GLY31 4.2 62.3 1.0 N B:VAL27 4.4 62.8 1.0 N B:ASP26 4.5 63.7 1.0 CA B:ALA30 4.7 63.5 1.0 N B:ALA30 4.7 64.7 1.0 CA B:VAL27 4.7 63.0 1.0 C B:ASP26 4.8 64.0 1.0 CA B:TRP24 4.8 59.1 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+, L-Tartaric Acid and Magnesium To Be Published.