Magnesium in PDB 5uhz: Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, D-Apionate and Magnesium

The structure of Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, D-Apionate and Magnesium, PDB code: 5uhz 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)	29.57 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	138.763, 114.183, 66.158, 90.00, 94.99, 90.00
R / Rfree (%)	20 / 22.6

The binding sites of Magnesium atom in the Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, D-Apionate and Magnesium (pdb code 5uhz). 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+, D-Apionate and Magnesium, PDB code: 5uhz:
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+, D-Apionate 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+, D-Apionate and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:57.5 occ:1.00 O A:ALA30 2.2 66.5 1.0 O A:HOH557 2.3 49.1 1.0 O A:VAL27 2.4 62.1 1.0 O A:TRP24 2.5 60.8 1.0 O A:LYS25 3.0 63.9 1.0 C A:ALA30 3.4 63.9 1.0 C A:VAL27 3.5 61.6 1.0 C A:LYS25 3.6 62.0 1.0 C A:TRP24 3.7 57.8 1.0 N A:VAL27 3.8 60.7 1.0 CA A:VAL27 4.0 61.8 1.0 CA A:LYS25 4.0 65.9 1.0 CB A:VAL27 4.2 62.2 1.0 CA A:GLY31 4.2 63.5 1.0 N A:GLY31 4.2 63.5 1.0 C A:ASP26 4.3 60.9 1.0 N A:LYS25 4.3 60.8 1.0 N A:ALA30 4.4 63.5 1.0 OE1 A:GLU5 4.4 91.6 1.0 N A:ASP26 4.4 61.6 1.0 CA A:ALA30 4.5 65.1 1.0 N A:LYS28 4.6 60.2 1.0 CG1 A:VAL27 4.8 63.4 1.0 CA A:ASP26 4.9 61.4 1.0 O A:ASP26 4.9 61.5 1.0 CA A:TRP24 4.9 54.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An Oxidoreductase From Agrobacterium Radiobacter in Complex with Nad+, D-Apionate 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+, D-Apionate and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:68.7 occ:1.00 O B:ALA30 2.3 81.0 1.0 O B:TRP24 2.5 79.8 1.0 O B:LYS25 2.8 85.9 1.0 O B:VAL27 2.9 81.7 1.0 C B:LYS25 3.4 84.5 1.0 C B:ALA30 3.5 80.2 1.0 C B:TRP24 3.5 78.6 1.0 CA B:LYS25 3.5 87.9 1.0 CA B:GLY31 3.9 77.8 1.0 N B:LYS25 4.0 81.4 1.0 C B:VAL27 4.0 82.0 1.0 N B:GLY31 4.1 77.8 1.0 N B:VAL27 4.3 79.5 1.0 O B:HOH544 4.3 59.0 1.0 OE2 B:GLU5 4.5 0.3 1.0 N B:ASP26 4.5 81.3 1.0 CA B:VAL27 4.6 79.7 1.0 OE1 B:GLU5 4.6 0.9 1.0 CA B:ALA30 4.7 81.2 1.0 CD B:GLU5 4.7 0.4 1.0 CB B:VAL27 4.7 78.8 1.0 N B:ALA30 4.7 82.2 1.0 C B:ASP26 4.8 82.2 1.0 CA B:TRP24 4.8 76.5 1.0 CB B:LYS25 4.9 93.2 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+, D-Apionate and Magnesium To Be Published.