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Magnesium in PDB 6hlf: X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A

Protein crystallography data

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A, PDB code: 6hlf was solved by J.Hermann, P.Nowotny, S.Schneider, D.Hekmat, D.Weuster-Botz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.97 / 1.55
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 55.580, 81.780, 114.890, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19.9

Other elements in 6hlf:

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A (pdb code 6hlf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A, PDB code: 6hlf:

Magnesium binding site 1 out of 1 in 6hlf

Go back to Magnesium Binding Sites List in 6hlf
Magnesium binding site 1 out of 1 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A


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 - K32A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:24.2
occ:0.35
MN A:MN302 0.0 23.3 0.1
O A:HOH570 2.1 18.3 0.5
O A:GLN251 2.1 17.6 1.0
O A:HOH465 2.1 17.9 1.0
O A:HOH586 2.1 21.0 0.5
C A:GLN251 3.1 18.5 1.0
OXT A:GLN251 3.4 17.2 1.0
O A:TYR248 4.3 16.8 1.0
O A:HOH455 4.3 27.1 1.0
O A:HOH599 4.3 31.6 1.0
CA A:GLN251 4.4 17.6 1.0
O A:THR249 4.6 19.2 1.0
CG1 A:VAL147 4.6 18.3 1.0
N A:GLN251 4.7 16.1 1.0
O A:HOH453 4.9 20.8 1.0
CG A:GLN251 4.9 17.5 1.0
C A:THR249 4.9 18.7 1.0
CA A:THR249 4.9 16.4 1.0

Reference:

P.Nowotny, J.Hermann, J.Li, A.Krautenbacher, K.Klopfer, D.Hekmat, D.Weuster-Botz. Rational Crystal Contact Engineering of Lactobacillus Brevis Alcohol Dehydrogenase to Promote Technical Protein Crystallization Cryst.Growth Des. 2019.
ISSN: ESSN 1528-7505
DOI: 10.1021/ACS.CGD.9B00067
Page generated: Tue Oct 1 01:47:29 2024

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