Magnesium in PDB 6mlh: Crystal Structure of X. Citri Phosphoglucomutase in Complex with Glucopyranosyl-1-Methyl-Phosphonic Acid

The structure of Crystal Structure of X. Citri Phosphoglucomutase in Complex with Glucopyranosyl-1-Methyl-Phosphonic Acid, PDB code: 6mlh was solved by L.Beamer, K.Stiers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.22 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.571, 54.715, 172.682, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.3

The binding sites of Magnesium atom in the Crystal Structure of X. Citri Phosphoglucomutase in Complex with Glucopyranosyl-1-Methyl-Phosphonic Acid (pdb code 6mlh). 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 Crystal Structure of X. Citri Phosphoglucomutase in Complex with Glucopyranosyl-1-Methyl-Phosphonic Acid, PDB code: 6mlh:

Magnesium binding site 1 out of 1 in the Crystal Structure of X. Citri Phosphoglucomutase in Complex with Glucopyranosyl-1-Methyl-Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of X. Citri Phosphoglucomutase in Complex with Glucopyranosyl-1-Methyl-Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:11.8 occ:1.00 O2P A:SEP97 1.9 34.9 0.4 OD2 A:ASP237 2.0 14.2 1.0 OD1 A:ASP241 2.0 14.2 1.0 OD1 A:ASP239 2.1 16.3 1.0 O A:HOH788 2.1 17.0 0.6 O A:HOH609 2.2 20.1 1.0 OG A:SEP97 2.3 31.6 0.6 OG A:SEP97 2.4 33.1 0.4 P A:SEP97 2.6 38.5 0.4 CG A:ASP237 3.0 17.7 1.0 CG A:ASP241 3.0 21.2 1.0 CG A:ASP239 3.0 18.4 1.0 OD2 A:ASP239 3.2 18.2 1.0 OD2 A:ASP241 3.3 19.9 1.0 OD1 A:ASP237 3.4 12.6 1.0 CB A:SEP97 3.4 34.5 0.6 CB A:SEP97 3.5 34.0 0.4 O1P A:SEP97 3.7 38.4 0.4 O3P A:SEP97 3.8 41.7 0.4 O A:HOH706 3.8 24.2 1.0 O A:HOH709 4.2 21.9 0.6 CB A:ASP237 4.2 13.9 1.0 NE A:ARG242 4.2 20.4 1.0 CA A:SEP97 4.2 33.8 0.4 CA A:SEP97 4.2 33.6 0.6 N A:ASP241 4.3 13.8 1.0 CB A:ASP241 4.3 16.5 1.0 CB A:ASP239 4.4 13.0 1.0 NH2 A:ARG242 4.6 21.6 1.0 N A:ARG242 4.6 9.7 1.0 O A:HOH1060 4.7 32.9 0.6 N A:ASP239 4.7 14.4 1.0 CA A:ASP241 4.7 12.8 1.0 CG A:ARG242 4.8 14.0 1.0 C A:ASP239 4.9 16.9 1.0 C A:ASP241 4.9 11.0 1.0 C A:SEP97 4.9 33.3 1.0 CA A:ASP239 4.9 14.0 1.0 N A:PHE240 4.9 13.3 1.0 CZ A:ARG242 4.9 25.1 1.0

J.S.Zhu, K.M.Stiers, E.Soleimani, B.R.Groves, L.J.Beamer, D.L.Jakeman. Inhibitory Evaluation of Alpha Pmm/Pgm Frompseudomonas Aeruginosa: Chemical Synthesis, Enzyme Kinetics, and Protein Crystallographic Study. J.Org.Chem. V. 84 9627 2019.
ISSN: ISSN 0022-3263
PubMed: 31264865
DOI: 10.1021/ACS.JOC.9B01305