Fluorine 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:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Bacterial Cellulose Synthase Product-Bound State (pdb code 5ejz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Bacterial Cellulose Synthase Product-Bound State, PDB code: 5ejz:

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


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Bacterial Cellulose Synthase Product-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:F918 b:0.7 occ:1.00 F2 A:SHG918 0.0 0.7 1.0 C2 A:SHG918 1.4 0.6 1.0 C3 A:SHG918 2.4 1.0 1.0 C1 A:SHG918 2.4 0.8 1.0 O3 A:SHG918 2.9 0.7 1.0 O4 A:BGC917 2.9 99.5 1.0 OD1 A:ASP343 3.0 0.1 1.0 OD2 A:ASP343 3.0 0.5 1.0 CG A:ASP343 3.0 0.6 1.0 OG1 A:THR341 3.1 0.2 1.0 CA A:THR341 3.5 0.2 1.0 CB A:THR341 3.7 0.7 1.0 C4 A:SHG918 3.7 0.0 1.0 O6 A:BGC917 3.8 99.0 1.0 O5 A:SHG918 3.8 0.3 1.0 C4 A:BGC917 3.8 89.8 1.0 C6 A:BGC917 3.8 81.9 1.0 OE1 A:GLU342 3.8 0.1 1.0 C A:THR341 3.9 0.8 1.0 CB A:ASP343 4.0 0.4 1.0 N A:GLU342 4.1 0.5 1.0 N A:ASP343 4.2 1.0 1.0 C5 A:SHG918 4.2 0.5 1.0 OE2 A:GLU342 4.2 0.1 1.0 CD A:GLU342 4.3 0.9 1.0 C5 A:BGC917 4.4 77.9 1.0 O A:ILE340 4.4 0.1 1.0 O A:THR341 4.6 0.6 1.0 O4 A:SHG918 4.7 0.6 1.0 CA A:ASP343 4.7 0.0 1.0 N A:THR341 4.7 0.2 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