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

Protein crystallography data

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

Other elements in 6y1c:

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

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

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 6y1c

Go back to Chlorine Binding Sites List in 6y1c
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 6y1c

Go back to Chlorine Binding Sites List in 6y1c
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

Reference:

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.
Page generated: Sat Dec 12 14:38:41 2020

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