Magnesium in PDB 6y0z: X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126K

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126K, PDB code: 6y0z 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)	35.98 / 1.21
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	55.770, 84.230, 113.560, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 17.2

The binding sites of Magnesium atom in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126K (pdb code 6y0z). 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 Q126K, PDB code: 6y0z:
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 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 Q126K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg909 b:57.9 occ:0.50 O A:HOH1183 1.8 41.0 1.0 O A:HOH1211 2.2 51.7 1.0 O A:HOH1046 3.9 29.6 1.0 OD2 A:ASP115 4.3 21.6 1.0 OD1 A:ASP115 4.4 16.1 1.0 NH1 A:ARG107 4.7 26.8 0.5 CG A:ASP115 4.8 15.2 1.0 CB A:LEU110 4.8 13.5 1.0 CD1 A:LEU110 5.0 18.0 1.0

Magnesium binding site 2 out of 5 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant 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 Q126K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg910 b:21.6 occ:1.00 O A:HOH1243 2.8 38.4 1.0 OG1 A:THR15 3.0 20.7 1.0 N A:HIS39 3.3 23.1 1.0 O A:HOH1185 3.4 27.5 1.0 N A:ARG38 3.5 17.1 1.0 O A:HIS39 3.6 15.6 1.0 CG1 A:VAL42 3.8 17.8 1.0 CA A:GLY37 3.8 14.9 1.0 CB A:VAL42 3.8 16.3 1.0 CB A:THR15 3.9 18.0 1.0 C A:GLY37 3.9 15.1 1.0 CB A:HIS39 3.9 15.6 1.0 CA A:HIS39 4.0 16.7 1.0 CG2 A:THR15 4.0 19.2 1.0 O A:HOH1053 4.1 27.1 1.0 C A:HIS39 4.3 15.8 1.0 C A:ARG38 4.3 16.4 1.0 CD2 A:HIS39 4.3 21.2 1.0 CA A:ARG38 4.4 18.1 1.0 CG A:HIS39 4.4 16.6 1.0 CG2 A:VAL42 4.5 18.7 1.0 N A:GLY43 4.6 14.9 1.0 CD1 A:LEU16 4.8 37.2 1.0 O A:GLY37 4.8 15.4 1.0 CB A:ARG38 4.9 21.6 1.0 CA A:VAL42 5.0 16.6 1.0 N A:GLY37 5.0 12.6 1.0

Magnesium binding site 3 out of 5 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126K


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 Q126K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg911 b:11.1 occ:0.50 O A:HOH1068 2.1 13.0 1.0 O A:GLN251 2.1 12.5 1.0 O A:HOH1170 2.1 21.5 0.5 O A:HOH1167 2.1 15.7 0.5 C A:GLN251 3.1 10.4 1.0 OXT A:GLN251 3.4 11.2 1.0 O A:HOH1040 4.2 25.9 1.0 O A:TYR248 4.3 11.2 1.0 O A:HOH1206 4.3 26.8 1.0 CA A:GLN251 4.4 11.1 1.0 O A:THR249 4.7 14.3 1.0 CG1 A:VAL147 4.7 11.7 1.0 N A:GLN251 4.7 11.1 1.0 O A:HOH1088 4.8 15.3 1.0 CG A:GLN251 4.9 12.7 1.0 C A:THR249 5.0 11.4 1.0 CA A:THR249 5.0 11.4 1.0

Magnesium binding site 4 out of 5 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126K


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 Q126K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg912 b:69.2 occ:1.00 O A:HOH1074 3.7 24.9 1.0 CG A:GLN60 3.9 19.8 1.0 N A:ASP62 4.0 17.2 1.0 C A:HIS61 4.2 15.8 1.0 O A:ARG38 4.2 19.5 1.0 N A:HIS61 4.3 15.2 1.0 CA A:HIS61 4.3 16.1 1.0 CB A:ASP62 4.4 24.0 1.0 CD A:GLN60 4.4 25.4 1.0 NE2 A:GLN60 4.4 33.5 1.0 CA A:ARG38 4.5 18.1 1.0 C A:GLN60 4.7 14.4 1.0 O A:HIS61 4.7 19.7 1.0 CA A:ASP62 4.8 19.8 1.0 C A:ARG38 4.8 16.4 1.0 CG A:ARG38 4.9 27.1 1.0 CB A:ARG38 4.9 21.6 1.0 O A:GLN60 4.9 18.2 1.0

Magnesium binding site 5 out of 5 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126K


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 Q126K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg913 b:44.9 occ:0.50 O A:HOH1003 2.7 42.2 1.0 O A:HOH1097 3.0 46.0 1.0 O2 A:EDO906 3.0 29.6 1.0 O A:HOH1161 3.6 31.1 0.5 CE1 A:PHE146 3.7 16.1 1.0 CZ A:PHE146 4.1 14.1 1.0 O A:HOH1039 4.2 15.4 1.0 C2 A:EDO906 4.3 23.3 1.0 O A:HOH1164 4.6 29.6 1.0 NH2 A:ARG163 4.7 13.4 1.0 CD1 A:PHE146 4.7 15.2 1.0 OE1 A:GLU241 4.9 14.1 1.0

J.Hermann, D.Bischoff, R.Janowski, P.Grob, D.Hekmat, D.Weuster-Botz. X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant Q126K (to Be Updated) To Be Published.