Fluorine in PDB 7msk: Thus Glycosin S-Glycosyltransferase

The structure of Thus Glycosin S-Glycosyltransferase, PDB code: 7msk was solved by N.Garg, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.06
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.833, 112.654, 90.31, 90, 90.11, 90
R / Rfree (%)	20.1 / 23.9

The structure of Thus Glycosin S-Glycosyltransferase also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Thus Glycosin S-Glycosyltransferase (pdb code 7msk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Thus Glycosin S-Glycosyltransferase, PDB code: 7msk:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Thus Glycosin S-Glycosyltransferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Thus Glycosin S-Glycosyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:37.3 occ:1.00 F1 A:U2F501 0.0 37.3 1.0 C2 A:U2F501 1.4 30.8 1.0 C1 A:U2F501 2.4 28.1 1.0 C3 A:U2F501 2.4 31.7 1.0 O1 A:U2F501 2.7 30.7 1.0 O3 A:U2F501 2.8 34.5 1.0 O A:HOH753 3.0 33.8 1.0 O A:HOH743 3.1 27.6 1.0 O A:HOH669 3.5 40.4 1.0 O5 A:U2F501 3.6 22.6 1.0 C4 A:U2F501 3.7 28.5 1.0 OD2 A:ASP142 3.8 28.1 1.0 PB A:U2F501 4.1 28.3 1.0 C5 A:U2F501 4.2 25.4 1.0 OH A:TYR227 4.3 51.8 1.0 O2B A:U2F501 4.4 24.2 1.0 MG A:MG500 4.7 25.5 1.0 O4 A:U2F501 4.8 33.0 1.0 CE1 A:HIS224 4.8 31.2 1.0 NE2 A:HIS224 4.9 28.9 1.0 NZ A:LYS187 4.9 28.2 1.0 O1B A:U2F501 5.0 27.4 1.0

Fluorine binding site 2 out of 2 in the Thus Glycosin S-Glycosyltransferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Thus Glycosin S-Glycosyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:36.2 occ:1.00 F1 B:U2F502 0.0 36.2 1.0 C2 B:U2F502 1.4 32.4 1.0 C1 B:U2F502 2.4 28.6 1.0 C3 B:U2F502 2.4 34.6 1.0 O1 B:U2F502 2.7 30.9 1.0 O3 B:U2F502 2.8 39.5 1.0 O B:HOH741 3.1 35.8 1.0 O B:HOH642 3.1 34.0 1.0 O B:HOH731 3.2 28.0 1.0 O B:HOH653 3.4 37.8 1.0 O5 B:U2F502 3.6 26.5 1.0 C4 B:U2F502 3.7 34.5 1.0 OD2 B:ASP142 3.8 27.5 1.0 O B:HOH742 3.9 39.2 1.0 PB B:U2F502 4.1 30.8 1.0 C5 B:U2F502 4.2 30.2 1.0 OH B:TYR227 4.2 50.0 1.0 O2B B:U2F502 4.4 30.2 1.0 MG B:MG501 4.6 30.6 1.0 CE1 B:HIS224 4.6 28.4 1.0 O4 B:U2F502 4.8 36.9 1.0 NE2 B:HIS224 4.8 28.2 1.0 O1B B:U2F502 4.9 32.7 1.0

D.Fujinami, C.V.Garcia De Gonzalo, S.Biswas, Y.Hao, H.Wang, N.Garg, T.Lukk, S.K.Nair, W.A.Van Der Donk. Structural and Mechanistic Investigations of Protein S-Glycosyltransferases. Cell Chem Biol V. 28 1740 2021.
ISSN: ESSN 2451-9456
PubMed: 34283964
DOI: 10.1016/J.CHEMBIOL.2021.06.009