Fluorine in PDB 5aeg: A Bacterial Protein Structure in Glycoside Hydrolase Family 31.

All present enzymatic activity of A Bacterial Protein Structure in Glycoside Hydrolase Family 31.:
3.2.1.20;

The structure of A Bacterial Protein Structure in Glycoside Hydrolase Family 31., PDB code: 5aeg was solved by Y.Jin, G.Speciale, G.J.Davies, S.J.Williams, E.D.Goddard-Borger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	105.45 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.665, 112.643, 111.881, 90.00, 109.52, 90.00
R / Rfree (%)	16 / 19.3

The structure of A Bacterial Protein Structure in Glycoside Hydrolase Family 31. also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Calcium	(Ca)	3 atoms

The binding sites of Fluorine atom in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31. (pdb code 5aeg). 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 A Bacterial Protein Structure in Glycoside Hydrolase Family 31., PDB code: 5aeg:

Fluorine binding site 1 out of 1 in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of A Bacterial Protein Structure in Glycoside Hydrolase Family 31. within 5.0Å range: probe atom residue distance (Å) B Occ B:F1681 b:46.1 occ:1.00 F1 B:B9D1681 0.0 46.1 1.0 C5 B:B9D1681 1.4 46.5 1.0 C6 B:B9D1681 2.3 46.2 1.0 O B:B9D1681 2.3 40.3 1.0 C4 B:B9D1681 2.4 35.7 1.0 O6 B:B9D1681 2.7 50.1 1.0 OH B:TYR333 2.8 35.1 1.0 OD2 B:ASP405 2.9 34.2 1.0 C1 B:B9D1681 3.1 40.3 1.0 CE2 B:TYR333 3.1 36.8 1.0 CZ B:TYR333 3.2 40.3 1.0 O4 B:B9D1681 3.2 38.3 1.0 C3 B:B9D1681 3.6 37.3 1.0 O B:HOH2163 3.7 28.7 1.0 OE1 B:GLN288 3.8 34.4 1.0 C2 B:B9D1681 3.9 35.5 1.0 CE2 B:PHE406 4.2 36.7 1.0 CD2 B:TYR333 4.2 36.8 1.0 CG B:ASP405 4.2 34.5 1.0 CE1 B:TYR333 4.3 37.7 1.0 CD B:GLN288 4.7 35.5 1.0 CZ B:PHE406 4.7 36.9 1.0 O3 B:B9D1681 4.8 32.3 1.0 CB B:ASP405 4.9 33.5 1.0 SD B:MET403 5.0 34.5 1.0

G.Speciale, Y.Jin, G.J.Davies, S.J.Williams, E.D.Goddard-Borger. Yihq Is A Sulfoquinovosidase That Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol. V. 12 215 2016.
ISSN: ISSN 1552-4450
PubMed: 26878550
DOI: 10.1038/NCHEMBIO.2023