Magnesium in PDB 4p00: Bacterial Cellulose Synthase in Complex with Cyclic-Di-Gmp and Udp

All present enzymatic activity of Bacterial Cellulose Synthase in Complex with Cyclic-Di-Gmp and Udp:
2.4.1.12;

The structure of Bacterial Cellulose Synthase in Complex with Cyclic-Di-Gmp and Udp, PDB code: 4p00 was solved by J.L.W.Morgan, J.T.Mcnamara, J.Zimmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.98 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.490, 216.790, 219.620, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 23.8

The binding sites of Magnesium atom in the Bacterial Cellulose Synthase in Complex with Cyclic-Di-Gmp and Udp (pdb code 4p00). 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 Bacterial Cellulose Synthase in Complex with Cyclic-Di-Gmp and Udp, PDB code: 4p00:

Magnesium binding site 1 out of 1 in the Bacterial Cellulose Synthase in Complex with Cyclic-Di-Gmp and Udp


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 in Complex with Cyclic-Di-Gmp and Udp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg921 b:36.4 occ:1.00 O2B A:UDP918 2.2 81.4 1.0 PB A:UDP918 3.3 72.7 1.0 NE2 A:HIS249 3.5 51.1 1.0 O3B A:UDP918 3.7 71.2 1.0 OD2 A:ASP246 3.8 83.8 1.0 O1B A:UDP918 3.8 60.1 1.0 OD2 A:ASP248 3.9 67.9 1.0 OD1 A:ASP248 4.3 72.2 1.0 CD2 A:HIS249 4.3 50.8 1.0 CE1 A:HIS249 4.3 51.1 1.0 O A:LEU368 4.5 66.8 1.0 CG A:ASP248 4.5 66.6 1.0 CE1 A:PHE278 4.5 60.6 1.0 O1A A:UDP918 4.6 86.2 1.0 NE2 A:GLN379 4.6 83.7 1.0 O3A A:UDP918 4.7 0.6 1.0 CG A:ASP246 4.7 79.3 1.0 CB A:ASP246 4.9 73.7 1.0 CZ A:PHE278 5.0 58.8 1.0

J.L.Morgan, J.T.Mcnamara, J.Zimmer. Mechanism of Activation of Bacterial Cellulose Synthase By Cyclic Di-Gmp. Nat.Struct.Mol.Biol. V. 21 489 2014.
ISSN: ESSN 1545-9985
PubMed: 24704788
DOI: 10.1038/NSMB.2803