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Fluorine in PDB 7msk: Thus Glycosin S-Glycosyltransferase

Protein crystallography data

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

Other elements in 7msk:

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

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

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 7msk

Go back to Fluorine Binding Sites List in 7msk
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 7msk

Go back to Fluorine Binding Sites List in 7msk
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

Reference:

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
Page generated: Tue Jul 15 21:52:40 2025

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