Fluorine in PDB 5jov: Bacteroides Ovatus Xyloglucan Pul GH31 with Bound 5FIDOF

All present enzymatic activity of Bacteroides Ovatus Xyloglucan Pul GH31 with Bound 5FIDOF:
3.2.1.177;

The structure of Bacteroides Ovatus Xyloglucan Pul GH31 with Bound 5FIDOF, PDB code: 5jov was solved by A.J.Thompson, G.R.Hemsworth, J.Stepper, L.F.Sobala, T.Coyle, J.Larsbrink, O.Spadiut, K.A.Stubbs, H.Brumer, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.28 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.906, 108.448, 144.853, 90.00, 90.00, 90.00
R / Rfree (%)	10.7 / 14.7

The structure of Bacteroides Ovatus Xyloglucan Pul GH31 with Bound 5FIDOF also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Fluorine atom in the Bacteroides Ovatus Xyloglucan Pul GH31 with Bound 5FIDOF (pdb code 5jov). 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 Bacteroides Ovatus Xyloglucan Pul GH31 with Bound 5FIDOF, PDB code: 5jov:

Fluorine binding site 1 out of 1 in the Bacteroides Ovatus Xyloglucan Pul GH31 with Bound 5FIDOF


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Bacteroides Ovatus Xyloglucan Pul GH31 with Bound 5FIDOF within 5.0Å range: probe atom residue distance (Å) B Occ A:F1008 b:17.4 occ:1.00 F1 A:B9D1008 0.0 17.4 1.0 C5 A:B9D1008 1.4 16.9 1.0 O A:B9D1008 2.3 16.0 1.0 C6 A:B9D1008 2.3 17.6 1.0 C4 A:B9D1008 2.3 16.2 1.0 OD2 A:ASP553 2.9 15.5 1.0 C1 A:B9D1008 3.0 17.2 1.0 OD1 A:ASP441 3.1 16.8 1.0 O4 A:B9D1008 3.2 16.4 1.0 O A:HOH1237 3.2 18.8 0.5 CD1 A:TRP442 3.4 19.1 1.0 CZ2 A:TRP482 3.5 21.9 1.0 O6 A:B9D1008 3.5 18.7 1.0 C3 A:B9D1008 3.6 15.5 1.0 CG A:TRP442 3.6 17.5 1.0 CB A:TRP442 3.7 18.1 1.0 C2 A:B9D1008 3.8 16.1 1.0 CG A:ASP441 3.9 14.7 1.0 NE1 A:TRP482 4.0 26.9 1.0 OD2 A:ASP441 4.1 16.9 1.0 CE2 A:TRP482 4.1 23.3 1.0 CG A:ASP553 4.2 14.3 1.0 NE1 A:TRP442 4.2 19.8 1.0 N A:TRP442 4.6 15.8 1.0 CH2 A:TRP482 4.6 27.3 1.0 CD2 A:TRP442 4.6 19.9 1.0 O3 A:B9D1008 4.7 15.0 1.0 CB A:ASP553 4.7 16.1 1.0 O A:HOH1237 4.8 22.1 0.5 OG A:SER480 4.9 20.9 1.0 CA A:TRP442 4.9 16.5 1.0 CE2 A:TRP442 4.9 20.4 1.0

G.R.Hemsworth, A.J.Thompson, J.Stepper, F.Sobala, T.Coyle, J.Larsbrink, O.Spadiut, E.D.Goddard-Borger, K.A.Stubbs, H.Brumer, G.J.Davies. Structural Dissection of A Complex Bacteroides Ovatus Gene Locus Conferring Xyloglucan Metabolism in the Human Gut. Open Biology V. 6 2016.
ISSN: ESSN 2046-2441
PubMed: 27466444
DOI: 10.1098/RSOB.160142