Magnesium in PDB 5eiy: Bacterial Cellulose Synthase Bound to A Substrate Analogue

All present enzymatic activity of Bacterial Cellulose Synthase Bound to A Substrate Analogue:
2.4.1.12;

The structure of Bacterial Cellulose Synthase Bound to A Substrate Analogue, PDB code: 5eiy was solved by J.T.Mcnamara, J.Zimmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.92 / 2.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.475, 216.654, 221.335, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 24.8

The binding sites of Magnesium atom in the Bacterial Cellulose Synthase Bound to A Substrate Analogue (pdb code 5eiy). 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 Bound to A Substrate Analogue, PDB code: 5eiy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Bacterial Cellulose Synthase Bound to A Substrate Analogue


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 Bound to A Substrate Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg924 b:83.4 occ:1.00 O44 A:660925 3.0 95.4 0.8 NE2 A:HIS249 3.1 75.2 1.0 O23 A:660925 3.4 85.6 0.8 CE1 A:HIS249 3.7 74.0 1.0 OD2 A:ASP248 3.8 84.6 1.0 O A:LEU368 3.9 68.8 1.0 NZ A:LYS508 4.0 0.7 1.0 C45 A:660925 4.0 72.9 0.8 C41 A:660925 4.0 75.7 0.8 P22 A:660925 4.1 79.1 0.8 C40 A:660925 4.1 87.4 0.8 O24 A:660925 4.1 79.0 0.8 CD2 A:HIS249 4.1 77.1 1.0 OD1 A:ASP248 4.2 82.8 1.0 OD2 A:ASP246 4.3 82.8 1.0 CE1 A:PHE278 4.3 62.5 1.0 NE2 A:GLN379 4.4 78.5 1.0 CG A:ASP248 4.4 80.8 1.0 ND1 A:HIS249 4.8 71.5 1.0 CZ A:PHE278 4.9 61.2 1.0

Magnesium binding site 2 out of 2 in the Bacterial Cellulose Synthase Bound to A Substrate Analogue


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 Bound to A Substrate Analogue within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg801 b:54.8 occ:1.00 O B:LEU234 2.5 60.0 1.0 O B:ALA487 2.6 53.2 1.0 O B:GLY231 2.6 43.5 1.0 O B:GLU237 2.6 60.5 1.0 O B:ALA488 3.2 60.0 1.0 N B:GLU237 3.3 67.8 1.0 C B:GLY231 3.4 48.0 1.0 C B:LEU234 3.5 61.0 1.0 C B:GLU237 3.6 64.0 1.0 C B:ALA487 3.7 55.8 1.0 N B:ASP236 3.8 67.9 1.0 CA B:ALA488 3.8 52.4 1.0 C B:ALA488 3.8 57.5 1.0 CA B:GLU237 3.9 62.8 1.0 CA B:GLY231 4.0 48.0 1.0 C B:PRO235 4.2 64.8 1.0 N B:ALA488 4.2 52.3 1.0 CA B:PRO235 4.2 70.0 1.0 N B:PRO235 4.3 70.0 1.0 C B:ASP236 4.3 64.3 1.0 CB B:GLU237 4.4 53.5 1.0 N B:ARG232 4.4 59.5 1.0 CA B:ASP236 4.5 66.0 1.0 CA B:LEU234 4.5 58.2 1.0 CB B:LEU234 4.6 54.2 1.0 N B:LEU234 4.7 52.2 1.0 CA B:ARG232 4.8 59.6 1.0 N B:ALA238 4.8 57.0 1.0 O B:PRO235 4.9 59.8 1.0 CA B:ALA487 5.0 56.5 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