Chlorine in PDB 6y1c: X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant D54F

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant D54F, PDB code: 6y1c 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)	46.39 / 1.41
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	55.760, 81.090, 113.130, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 16.2

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant D54F also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant D54F (pdb code 6y1c). 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 Brevis Alcohol Dehydrogenase Mutant D54F, PDB code: 6y1c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant D54F


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 Brevis Alcohol Dehydrogenase Mutant D54F within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:20.1 occ:1.00 O A:HOH652 3.1 32.4 1.0 OG1 A:THR52 3.1 17.8 1.0 CG2 A:THR52 3.8 16.8 1.0 CB A:PHE54 3.8 15.0 1.0 CB A:THR52 3.9 16.3 1.0 CG A:GLN55 4.5 17.7 1.0 CG A:PHE54 4.5 15.6 1.0 CD1 A:PHE54 4.5 16.9 1.0 CD A:GLN55 4.6 21.4 1.0 O A:HOH589 4.8 37.7 1.0 NE2 A:GLN55 4.9 28.1 1.0 CA A:PHE54 4.9 14.1 1.0 OE1 A:GLN55 5.0 20.6 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant D54F


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 Brevis Alcohol Dehydrogenase Mutant D54F within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:33.7 occ:1.00 OG1 A:THR15 2.9 18.6 1.0 N A:HIS39 3.3 23.7 1.0 O A:HOH572 3.3 27.6 1.0 O A:HOH583 3.5 28.0 1.0 N A:ARG38 3.5 15.4 1.0 O A:HIS39 3.5 17.2 1.0 CA A:GLY37 3.7 14.5 1.0 CB A:VAL42 3.8 17.1 1.0 C A:GLY37 3.8 14.1 1.0 CB A:HIS39 3.8 17.4 1.0 CB A:THR15 3.9 16.9 1.0 CG1 A:VAL42 3.9 18.3 1.0 CA A:HIS39 3.9 17.1 1.0 O A:HOH424 4.0 24.3 1.0 CG2 A:THR15 4.1 17.9 1.0 C A:HIS39 4.2 15.3 1.0 C A:ARG38 4.3 16.9 1.0 ND1 A:HIS39 4.5 23.7 1.0 CA A:ARG38 4.5 17.3 1.0 CG A:HIS39 4.5 19.7 1.0 CG2 A:VAL42 4.5 17.8 1.0 N A:GLY43 4.6 15.1 1.0 O A:GLY37 4.7 14.2 1.0 N A:GLY37 4.9 14.4 1.0 CD1 A:LEU16 4.9 25.0 1.0 CA A:VAL42 4.9 16.2 1.0

J.Hermann, D.Bischoff, R.Janowski, P.Grob, D.Hekmat, D.Weuster-Botz. X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant D54F (to Be Updated) To Be Published.