Magnesium in PDB 6n1e: Crystal Structure of X. Citri Phosphoglucomutase in Complex with 1- Methyl-Glucose 6-Phosphate

The structure of Crystal Structure of X. Citri Phosphoglucomutase in Complex with 1- Methyl-Glucose 6-Phosphate, PDB code: 6n1e was solved by L.J.Beamer, K.M.Stiers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.98 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.705, 54.745, 172.432, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.2

The binding sites of Magnesium atom in the Crystal Structure of X. Citri Phosphoglucomutase in Complex with 1- Methyl-Glucose 6-Phosphate (pdb code 6n1e). 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 1- Methyl-Glucose 6-Phosphate, PDB code: 6n1e:

Magnesium binding site 1 out of 1 in the Crystal Structure of X. Citri Phosphoglucomutase in Complex with 1- Methyl-Glucose 6-Phosphate


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 1- Methyl-Glucose 6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:13.2 occ:1.00 OD2 A:ASP237 2.0 15.9 1.0 O A:HOH795 2.1 17.9 1.0 OD1 A:ASP241 2.1 18.6 1.0 OD1 A:ASP239 2.2 17.8 1.0 O A:HOH617 2.2 19.8 1.0 OG A:SER97 2.3 27.1 1.0 CG A:ASP237 3.0 16.4 1.0 CG A:ASP239 3.1 16.6 1.0 CG A:ASP241 3.1 23.1 1.0 OD2 A:ASP239 3.2 18.1 1.0 OD2 A:ASP241 3.4 20.5 1.0 CB A:SER97 3.4 32.7 1.0 OD1 A:ASP237 3.4 14.5 1.0 O A:HOH980 3.9 26.0 1.0 CA A:SER97 4.1 36.8 1.0 O A:HOH785 4.1 32.8 1.0 NE A:ARG242 4.1 21.6 1.0 CB A:ASP237 4.2 15.7 1.0 N A:ASP241 4.4 15.0 1.0 CB A:ASP241 4.4 13.8 1.0 CB A:ASP239 4.5 15.2 1.0 ND1 A:HIS98 4.6 62.0 1.0 N A:ARG242 4.7 13.2 1.0 CG A:ARG242 4.7 18.9 1.0 O A:HOH891 4.7 42.6 1.0 C A:SER97 4.7 36.0 1.0 N A:ASP239 4.7 15.0 1.0 NH2 A:ARG242 4.8 24.1 1.0 CA A:ASP241 4.8 14.8 1.0 CD A:ARG242 4.9 21.0 1.0 CZ A:ARG242 4.9 20.7 1.0 C A:ASP241 4.9 14.0 1.0 C A:ASP239 4.9 14.8 1.0 CA A:ASP239 5.0 17.0 1.0

J.S.Zhu, K.M.Stiers, S.M.Winter, A.D.Garcia, A.F.Versini, L.J.Beamer, D.L.Jakeman. Synthesis, Derivatization, and Structural Analysis of Phosphorylated Mono-, Di-, and Trifluorinated D-Gluco-Heptuloses By Glucokinase: Tunable Phosphoglucomutase Inhibition. Acs Omega V. 4 7029 2019.
ISSN: ESSN 2470-1343
PubMed: 31179410
DOI: 10.1021/ACSOMEGA.9B00008