Magnesium in PDB 5uhw: Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+ and Magnesium

The structure of Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+ and Magnesium, PDB code: 5uhw 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)	19.98 / 2.24
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	138.674, 112.856, 65.741, 90.00, 95.02, 90.00
R / Rfree (%)	18.8 / 21.6

The binding sites of Magnesium atom in the Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+ and Magnesium (pdb code 5uhw). 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+ and Magnesium, PDB code: 5uhw:
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+ 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+ and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:41.1 occ:1.00 O A:ALA30 2.2 48.1 1.0 O A:VAL27 2.3 48.9 1.0 O A:TRP24 2.4 45.1 1.0 O A:HOH515 2.5 46.7 1.0 O A:HOH536 2.6 45.6 1.0 O A:LYS25 2.7 50.9 1.0 C A:VAL27 3.4 49.5 1.0 C A:LYS25 3.4 50.2 1.0 C A:ALA30 3.5 47.2 1.0 C A:TRP24 3.6 44.5 1.0 N A:VAL27 3.7 48.3 1.0 CA A:LYS25 3.8 50.3 1.0 OE2 A:GLU5 3.8 72.2 1.0 CA A:VAL27 3.9 48.7 1.0 CB A:VAL27 4.1 48.4 1.0 N A:LYS25 4.1 47.2 1.0 CA A:GLY31 4.2 46.1 1.0 N A:GLY31 4.3 46.2 1.0 C A:ASP26 4.3 48.9 1.0 N A:ASP26 4.3 48.9 1.0 N A:ALA30 4.4 48.6 1.0 N A:LYS28 4.5 50.0 1.0 CA A:ALA30 4.5 47.9 1.0 CD A:GLU5 4.7 70.3 1.0 CG1 A:VAL27 4.8 49.3 1.0 CA A:TRP24 4.8 42.1 1.0 CA A:ASP26 4.8 49.2 1.0 O A:ASP26 4.9 49.9 1.0 CA A:LYS28 4.9 51.8 1.0 OE1 A:GLU5 5.0 67.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+ 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+ and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:52.9 occ:1.00 O B:HOH527 2.3 43.6 1.0 O B:TRP24 2.4 56.4 1.0 O B:ALA30 2.4 58.8 1.0 O B:VAL27 2.4 60.5 1.0 O B:LYS25 2.8 59.1 1.0 C B:LYS25 3.5 59.5 1.0 C B:TRP24 3.5 55.0 1.0 C B:VAL27 3.6 60.5 1.0 C B:ALA30 3.6 57.5 1.0 CA B:LYS25 3.8 60.3 1.0 N B:VAL27 3.9 58.5 1.0 OE2 B:GLU5 4.0 69.8 1.0 CA B:GLY31 4.1 54.7 1.0 N B:LYS25 4.1 57.2 1.0 CA B:VAL27 4.2 58.7 1.0 N B:GLY31 4.3 55.5 1.0 C B:ASP26 4.4 59.0 1.0 N B:ASP26 4.4 58.7 1.0 CB B:VAL27 4.5 57.4 1.0 OE1 B:GLU5 4.6 67.7 1.0 CD B:GLU5 4.6 68.9 1.0 N B:LYS28 4.7 61.7 1.0 CA B:TRP24 4.7 52.6 1.0 N B:ALA30 4.7 59.8 1.0 CA B:ALA30 4.7 58.3 1.0 O B:ASP26 4.9 59.6 1.0 CA B:ASP26 4.9 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+ and Magnesium To Be Published.