Magnesium in PDB 5ejz: Bacterial Cellulose Synthase Product-Bound State

All present enzymatic activity of Bacterial Cellulose Synthase Product-Bound State:
2.4.1.12;

The structure of Bacterial Cellulose Synthase Product-Bound State, PDB code: 5ejz was solved by J.L.W.Morgan, J.Zimmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.35 / 2.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.269, 216.838, 221.117, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.3

The structure of Bacterial Cellulose Synthase Product-Bound State also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Magnesium atom in the Bacterial Cellulose Synthase Product-Bound State (pdb code 5ejz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Bacterial Cellulose Synthase Product-Bound State, PDB code: 5ejz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Bacterial Cellulose Synthase Product-Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bacterial Cellulose Synthase Product-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg922 b:98.0 occ:1.00 O1B A:UDP921 1.9 0.8 1.0 PB A:UDP921 3.1 0.8 1.0 O3B A:UDP921 3.4 0.1 1.0 NE2 A:HIS249 3.5 69.2 1.0 O6 A:SHG918 3.5 0.7 1.0 C6 A:SHG918 3.8 0.9 1.0 O2B A:UDP921 3.9 0.8 1.0 NE2 A:GLN379 4.0 92.9 1.0 OD2 A:ASP246 4.1 99.6 1.0 NZ A:LYS508 4.2 93.2 1.0 OD2 A:ASP248 4.2 85.6 1.0 CE1 A:HIS249 4.2 72.3 1.0 O3A A:UDP921 4.3 0.5 1.0 CD2 A:HIS249 4.3 66.2 1.0 O A:LEU368 4.3 67.0 1.0 OD1 A:ASP248 4.4 76.9 1.0 O2A A:UDP921 4.6 80.4 1.0 CE2 A:PHE278 4.7 56.6 1.0 CG A:ASP248 4.7 77.1 1.0 CG A:ASP246 5.0 82.9 1.0

Magnesium binding site 2 out of 2 in the Bacterial Cellulose Synthase Product-Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Bacterial Cellulose Synthase Product-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg801 b:62.0 occ:1.00 O B:ALA487 1.8 88.5 1.0 O B:LEU234 2.0 58.9 1.0 O B:GLU237 2.4 50.5 1.0 O B:GLY231 2.6 64.7 1.0 C B:ALA487 3.0 56.9 1.0 C B:LEU234 3.2 72.3 1.0 C B:GLY231 3.3 61.7 1.0 CA B:GLY231 3.5 52.2 1.0 C B:GLU237 3.6 60.6 1.0 O B:ALA488 3.6 62.7 1.0 CA B:ALA488 3.6 54.8 1.0 N B:ALA488 3.7 61.6 1.0 C B:ALA488 3.9 62.4 1.0 N B:GLU237 4.0 81.9 1.0 N B:PRO235 4.0 85.9 1.0 CA B:PRO235 4.0 84.5 1.0 N B:ASP236 4.1 66.9 1.0 CA B:ALA487 4.1 54.9 1.0 CA B:LEU234 4.3 71.1 1.0 C B:PRO235 4.4 71.9 1.0 CB B:LEU234 4.4 77.0 1.0 CA B:GLU237 4.4 67.5 1.0 CB B:ALA487 4.5 63.2 1.0 N B:ARG232 4.5 61.7 1.0 N B:ALA238 4.5 65.8 1.0 CA B:ALA238 4.5 66.1 1.0 N B:LEU234 4.6 69.2 1.0 CB B:GLU237 4.8 57.6 1.0 C B:ASP236 4.9 70.5 1.0 N B:GLY231 4.9 57.4 1.0

J.L.Morgan, J.T.Mcnamara, M.Fischer, J.Rich, H.M.Chen, S.G.Withers, J.Zimmer. Observing Cellulose Biosynthesis and Membrane Translocation in Crystallo. Nature V. 531 329 2016.
ISSN: ESSN 1476-4687
PubMed: 26958837
DOI: 10.1038/NATURE16966