Magnesium in PDB 6y10: X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H, PDB code: 6y10 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)	46.01 / 1.22
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.050, 80.570, 113.470, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 16.4

The binding sites of Magnesium atom in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H (pdb code 6y10). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H, PDB code: 6y10:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H


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 Q126H within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:8.9 occ:0.50 O A:HOH586 2.0 20.3 0.5 O A:HOH475 2.0 12.8 0.5 O A:HOH488 2.1 11.5 1.0 O A:GLN251 2.1 9.9 1.0 C A:GLN251 3.1 9.5 1.0 OXT A:GLN251 3.4 9.4 1.0 O A:TYR248 4.3 9.0 1.0 O A:HOH457 4.4 19.1 1.0 O2 A:EDO304 4.4 17.1 1.0 CA A:GLN251 4.5 9.3 1.0 CG1 A:VAL147 4.7 11.1 1.0 O A:THR249 4.7 12.6 1.0 N A:GLN251 4.7 9.1 1.0 CG A:GLN251 4.9 10.1 1.0 O A:HOH430 4.9 11.7 1.0 CA A:THR249 5.0 8.6 1.0 C A:THR249 5.0 9.0 1.0

Magnesium binding site 2 out of 5 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H


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 Q126H within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg310 b:16.1 occ:1.00 OG1 A:THR15 3.0 15.1 1.0 O A:HOH698 3.0 24.0 1.0 N A:HIS39 3.4 15.3 1.0 O A:HOH624 3.4 26.4 1.0 N A:ARG38 3.5 13.5 1.0 O A:HIS39 3.6 14.4 1.0 CA A:GLY37 3.7 12.6 1.0 CB A:VAL42 3.7 13.2 1.0 CB A:HIS39 3.8 12.7 1.0 C A:GLY37 3.8 12.6 1.0 CG1 A:VAL42 3.9 13.1 1.0 CB A:THR15 3.9 13.1 1.0 CA A:HIS39 4.0 13.9 1.0 CG2 A:THR15 4.0 13.8 1.0 O A:HOH466 4.1 22.2 1.0 O A:HOH760 4.2 43.9 1.0 C A:HIS39 4.3 13.4 1.0 CD2 A:HIS39 4.3 17.0 1.0 CG A:HIS39 4.3 13.6 1.0 C A:ARG38 4.4 13.7 1.0 CG2 A:VAL42 4.4 14.3 1.0 CA A:ARG38 4.5 15.0 1.0 N A:GLY43 4.6 12.1 1.0 O A:GLY37 4.6 11.8 1.0 CA A:VAL42 4.9 12.7 1.0 N A:GLY37 4.9 11.8 1.0 C A:VAL42 5.0 12.4 1.0

Magnesium binding site 3 out of 5 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg311 b:16.7 occ:1.00 O2 A:EDO302 2.9 16.1 1.0 NE A:ARG122 3.0 10.8 1.0 O1 A:EDO302 3.4 12.4 1.0 CA A:LEU123 3.6 9.6 1.0 CG A:ARG122 3.6 10.1 1.0 N A:LEU123 3.7 9.4 1.0 CD A:ARG122 3.8 10.5 1.0 CZ A:ARG122 3.8 11.0 1.0 NH2 A:ARG122 3.8 11.7 1.0 C2 A:EDO302 3.9 14.0 1.0 CB A:LEU123 3.9 10.1 1.0 CD2 A:HIS126 3.9 12.5 1.0 C A:ARG122 4.0 9.4 1.0 C1 A:EDO302 4.1 12.9 1.0 CD1 A:LEU123 4.1 11.3 1.0 CB A:ARG122 4.2 9.2 1.0 O A:ARG122 4.3 10.3 1.0 NE2 A:HIS126 4.4 14.5 1.0 CG A:LEU123 4.6 11.0 1.0 CG A:HIS126 4.7 11.5 1.0 CA A:ARG122 4.8 9.4 1.0 O A:PHE119 4.9 10.4 1.0 NH1 A:ARG122 4.9 10.8 1.0

Magnesium binding site 4 out of 5 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg312 b:47.3 occ:0.50 O A:THR209 2.7 13.1 1.0 O1 A:EDO304 2.7 30.4 1.0 O2 A:EDO304 3.0 17.1 1.0 C1 A:EDO304 3.3 21.6 1.0 C A:THR209 3.6 12.0 1.0 CB A:THR209 3.7 13.1 1.0 C2 A:EDO304 3.7 18.6 1.0 CA A:THR209 3.8 12.1 1.0 O A:HOH475 4.2 12.8 0.5 CG2 A:THR209 4.3 15.1 1.0 NE2 A:GLN251 4.5 10.6 1.0 O A:HOH430 4.7 11.7 1.0 OG1 A:THR209 4.8 15.2 1.0 N A:LYS210 4.9 10.6 1.0

Magnesium binding site 5 out of 5 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg313 b:41.4 occ:1.00 O A:GLY239 3.1 10.5 1.0 NZ A:LYS167 3.5 17.4 0.8 C A:GLY239 3.8 9.5 1.0 CA A:SER240 3.9 10.9 1.0 OG A:SER240 4.0 21.9 1.0 OE1 A:GLU241 4.2 13.5 0.6 N A:SER240 4.3 9.9 1.0 CB A:SER240 4.5 14.0 1.0 CE A:LYS167 4.9 13.2 1.0 CA A:GLY239 4.9 8.4 1.0

J.Hermann, D.Bischoff, R.Janowski, P.Grob, D.Hekmat, D.Weuster-Botz. X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126H (to Be Updated) To Be Published.