Magnesium in PDB 6z69: A Novel Metagenomic Alpha/Beta-Fold Esterase

The structure of A Novel Metagenomic Alpha/Beta-Fold Esterase, PDB code: 6z69 was solved by A.Bollinger, S.Thies, A.Hoeppner, S.Kobus, K.-E.Jaeger, S.H.J.Smits, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.39 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.41, 86.7, 110.11, 90, 90, 90
R / Rfree (%)	15.1 / 19.2

The binding sites of Magnesium atom in the A Novel Metagenomic Alpha/Beta-Fold Esterase (pdb code 6z69). 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 A Novel Metagenomic Alpha/Beta-Fold Esterase, PDB code: 6z69:

Magnesium binding site 1 out of 1 in the A Novel Metagenomic Alpha/Beta-Fold Esterase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Novel Metagenomic Alpha/Beta-Fold Esterase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:24.8 occ:1.00 N B:VAL138 2.9 13.4 1.0 O B:HOH618 3.0 12.2 1.0 O B:HOH577 3.0 11.4 1.0 N B:PRO137 3.1 13.4 1.0 CD B:PRO137 3.2 13.9 1.0 C B:GLY136 3.3 13.9 1.0 CB B:PHE76 3.5 17.9 1.0 CA B:GLY136 3.5 14.5 1.0 CB B:VAL138 3.6 17.8 1.0 CG B:PRO137 3.7 14.4 1.0 OE2 B:GLU73 3.7 19.5 1.0 CA B:VAL138 3.8 14.3 1.0 C B:PRO137 3.8 13.2 1.0 CA B:PRO137 3.9 13.2 1.0 O B:GLY136 3.9 12.8 1.0 CD2 B:PHE76 3.9 27.2 1.0 CG2 B:VAL138 4.1 20.9 1.0 CG B:PHE76 4.2 21.8 1.0 CB B:PRO137 4.4 13.7 1.0 N B:TYR139 4.4 12.5 1.0 CD2 B:TYR139 4.6 10.6 1.0 CA B:PHE76 4.6 15.5 1.0 C B:PHE76 4.6 14.5 1.0 C B:VAL138 4.7 13.0 1.0 N B:GLY136 4.8 13.1 1.0 N B:ALA77 4.8 13.5 1.0 CG1 B:VAL138 4.8 20.9 1.0 CE2 B:TYR139 4.9 10.7 1.0 CD B:GLU73 4.9 17.5 1.0 O B:PHE76 5.0 15.1 1.0

A.Hoppner, A.Bollinger, S.Kobus, S.Thies, C.Coscolin, M.Ferrer, K.E.Jaeger, S.H.J.Smits. Crystal Structures of A Novel Family IV Esterase in Free and Substrate-Bound Form. Febs J. 2020.
ISSN: ISSN 1742-464X
PubMed: 33342083
DOI: 10.1111/FEBS.15680