Magnesium in PDB 6z68: A Novel Metagenomic Alpha/Beta-Fold Esterase

The structure of A Novel Metagenomic Alpha/Beta-Fold Esterase, PDB code: 6z68 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)	55.28 / 1.35
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	58.71, 77.19, 162.51, 90, 90, 90
R / Rfree (%)	13.8 / 18.4

The binding sites of Magnesium atom in the A Novel Metagenomic Alpha/Beta-Fold Esterase (pdb code 6z68). 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: 6z68:

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:Mg403 b:23.7 occ:1.00 O B:HOH790 3.1 31.7 1.0 O B:HOH847 3.2 29.9 1.0 NE B:ARG58 3.5 19.1 1.0 CD B:ARG58 4.1 19.0 1.0 NH2 B:ARG58 4.3 18.7 1.0 CZ B:ARG58 4.4 18.2 1.0 O B:HOH882 4.6 28.5 1.0 CD1 B:LEU62 4.6 18.0 1.0 O B:HOH938 4.7 27.5 1.0 CG B:ARG58 4.8 18.2 1.0 O B:HOH952 4.8 22.3 1.0 CG B:PRO167 4.9 14.8 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