Manganese in PDB 6h07: X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase, PDB code: 6h07 was solved by J.Hermann, P.Nowotny, P.Biggel, 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)	47.15 / 1.48
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	56.030, 83.310, 114.380, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 20.3

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

Magnesium

(Mg)

1 atom

The binding sites of Manganese atom in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase (pdb code 6h07). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase, PDB code: 6h07:

Manganese binding site 1 out of 1 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:17.9 occ:0.25 MG B:MG301 0.0 18.0 0.8 O B:HOH526 2.0 18.0 1.0 O B:GLN251 2.0 16.2 1.0 O B:HOH441 2.1 17.6 1.0 C B:GLN251 3.1 16.3 1.0 OXT B:GLN251 3.3 15.7 1.0 O B:TYR248 4.3 17.6 1.0 O B:HOH409 4.4 24.0 1.0 CA B:GLN251 4.4 15.7 1.0 N B:GLN251 4.7 14.5 1.0 CG1 B:VAL147 4.7 16.6 1.0 O B:THR249 4.7 17.7 1.0 O B:HOH475 4.8 19.3 1.0 CG B:GLN251 4.8 16.7 1.0 CA B:THR249 5.0 15.0 1.0

J.Hermann, P.Nowotny, T.E.Schrader, P.Biggel, D.Hekmat, D.Weuster-Botz. Neutron and X-Ray Crystal Structures of Lactobacillus Brevis Alcohol Dehydrogenase Reveal New Insights Into Hydrogen-Bonding Pathways. Acta Crystallogr F Struct V. 74 754 2018BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 30511668
DOI: 10.1107/S2053230X18015273