Chlorine in PDB 7p7y: X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase Mutant Q126K

The structure of X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase Mutant Q126K, PDB code: 7p7y was solved by D.Bischoff, B.Walla, R.Janowski, D.Niessing, D.Weuster-Botz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.80 / 1.25
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	55.84, 80.04, 114.93, 90, 90, 90
R / Rfree (%)	10.1 / 11.8

The structure of X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase Mutant Q126K also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase Mutant Q126K (pdb code 7p7y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase Mutant Q126K, PDB code: 7p7y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase Mutant Q126K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase Mutant Q126K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:16.2 occ:0.70 O A:HOH671 2.9 15.4 1.0 O A:HOH681 3.0 16.9 1.0 O A:HOH550 3.0 14.0 1.0 CD A:PRO193 3.5 16.4 1.0 CB A:THR192 3.7 13.2 1.0 N A:LEU194 3.8 15.6 1.0 CG A:LEU194 3.8 17.6 1.0 N A:PRO193 3.9 14.6 1.0 CB A:PRO193 3.9 17.2 1.0 CB A:LEU16 4.0 11.4 1.0 OG1 A:THR192 4.0 14.4 1.0 CG A:PRO193 4.0 17.3 1.0 N A:GLY17 4.1 8.6 1.0 CD1 A:LEU194 4.2 19.8 1.0 CA A:GLY17 4.3 8.9 1.0 CD2 A:LEU16 4.3 13.2 1.0 CB A:LEU194 4.3 16.8 1.0 CA A:PRO193 4.3 15.2 1.0 C A:PRO193 4.5 15.3 1.0 C A:THR192 4.5 14.5 1.0 CG2 A:THR192 4.6 13.7 1.0 CG A:LEU16 4.6 12.5 1.0 O A:HOH739 4.6 19.1 1.0 CA A:THR192 4.7 12.3 1.0 CA A:LEU194 4.7 15.8 1.0 C A:LEU16 4.8 8.6 1.0 CA A:LEU16 4.8 9.6 1.0 CD1 A:LEU16 4.8 15.0 1.0 O A:HOH444 4.8 28.4 1.0 CD2 A:LEU194 4.9 18.8 1.0 O A:HOH716 4.9 16.8 1.0 O A:HOH658 4.9 20.7 1.0 O A:HOH740 5.0 14.8 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase Mutant Q126K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase Mutant Q126K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:9.8 occ:0.80 OG1 A:THR70 3.0 12.7 1.0 NH1 A:ARG127 3.3 10.0 1.0 CD1 A:LEU123 3.6 10.5 1.0 CB A:THR70 3.8 10.6 1.0 CD A:ARG127 3.8 10.1 1.0 CZ A:ARG127 4.3 9.1 1.0 O A:HOH427 4.4 15.2 1.0 CG A:ARG127 4.5 8.8 1.0 NE A:ARG127 4.5 10.3 1.0 CA A:THR70 4.6 10.2 1.0 CG A:LEU123 4.7 8.2 1.0 CD2 A:LEU123 4.8 9.3 1.0 CG2 A:THR70 5.0 12.3 1.0

D.Bischoff, B.Walla, R.Janowski, D.Niessing, D.Weuster-Botz. X-Ray Structure of Lactobacillus Kefir Alcohol Dehydrogenase (Wild Type) To Be Published.