Magnesium in PDB 6y1b: X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant K32A_Q126K

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant K32A_Q126K, PDB code: 6y1b was solved by J.Hermann, D.Bischoff, R.Janowski, D.Niessing, P.Grob, D.Hekmat, D.Weuster-Botz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.97 / 1.40
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	56.280, 82.030, 114.590, 90.00, 90.00, 90.00
R / Rfree (%)	10.5 / 13.6

The binding sites of Magnesium atom in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant K32A_Q126K (pdb code 6y1b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant K32A_Q126K, PDB code: 6y1b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant K32A_Q126K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant K32A_Q126K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:13.1 occ:1.00 O A:HOH1412 2.0 25.0 1.0 O A:GLN251 2.0 13.5 1.0 O A:HOH1275 2.1 14.7 1.0 O A:HOH1401 2.1 15.7 1.0 O A:HOH1371 2.1 13.0 1.0 C A:GLN251 3.0 12.9 1.0 OXT A:GLN251 3.4 13.1 1.0 O A:HOH1257 4.3 13.1 0.5 O A:HOH1472 4.3 21.1 1.0 O A:TYR248 4.3 12.7 1.0 O A:HOH1448 4.3 23.6 1.0 CA A:GLN251 4.4 13.0 1.0 O A:THR249 4.6 15.8 1.0 CG1 A:VAL147 4.7 14.9 1.0 N A:GLN251 4.7 12.5 1.0 CG A:GLN251 4.9 14.6 1.0 CA A:THR249 5.0 12.4 1.0 O A:HOH1260 5.0 14.1 1.0 C A:THR249 5.0 12.2 1.0

Magnesium binding site 2 out of 2 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant K32A_Q126K


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant K32A_Q126K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1103 b:71.3 occ:1.00 OD2 A:ASP54 2.9 47.1 1.0 CG A:ASP54 3.8 37.0 1.0 OD1 A:ASP54 3.9 44.1 1.0 OG1 A:THR52 3.9 33.3 1.0 NE2 A:GLN55 4.2 33.5 1.0 CD A:GLN55 4.3 25.1 1.0 CG A:GLN55 4.4 25.9 1.0 OE1 A:GLN55 4.8 26.4 1.0

J.Hermann, D.Bischoff, R.Janowski, P.Grob, D.Hekmat, D.Weuster-Botz. X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant K32A_Q126K (to Be Updated) To Be Published.