Fluorine in PDB 3l79: Crystal Structure of Glycogen Phosphorylase DK1 Complex

All present enzymatic activity of Crystal Structure of Glycogen Phosphorylase DK1 Complex:
2.4.1.1;

The structure of Crystal Structure of Glycogen Phosphorylase DK1 Complex, PDB code: 3l79 was solved by V.G.Tsirkone, C.Lamprakis, J.M.Hayes, V.Skamnaki, C.Drakou, S.E.Zographos, D.D.Leonidas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.86
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	128.626, 128.626, 116.629, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.8

The binding sites of Fluorine atom in the Crystal Structure of Glycogen Phosphorylase DK1 Complex (pdb code 3l79). 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 Crystal Structure of Glycogen Phosphorylase DK1 Complex, PDB code: 3l79:

Fluorine binding site 1 out of 1 in the Crystal Structure of Glycogen Phosphorylase DK1 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Glycogen Phosphorylase DK1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F843 b:22.8 occ:1.00 F3 A:DKX843 0.0 22.8 1.0 C3 A:DKX843 1.4 25.0 1.0 C2 A:DKX843 2.4 26.3 1.0 C4 A:DKX843 2.4 24.6 1.0 O2 A:DKX843 2.9 25.6 1.0 N A:SER674 2.9 19.2 1.0 O4 A:DKX843 2.9 23.3 1.0 N A:GLY675 3.1 17.9 1.0 OE1 A:GLU672 3.2 24.8 1.0 N A:ALA673 3.3 20.0 1.0 O A:HOH1128 3.6 29.8 1.0 CG A:GLU672 3.7 23.0 1.0 CB A:ALA673 3.7 19.9 1.0 C1 A:DKX843 3.7 27.2 1.0 CA A:ALA673 3.7 19.7 1.0 C5 A:DKX843 3.8 25.1 1.0 CD A:GLU672 3.8 23.4 1.0 C A:ALA673 3.8 19.8 1.0 CA A:SER674 3.8 18.8 1.0 C A:SER674 3.8 18.5 1.0 C A:GLU672 3.9 20.9 1.0 CA A:GLY675 4.0 18.4 1.0 O5 A:DKX843 4.1 25.3 1.0 CB A:SER674 4.3 18.2 1.0 CA A:GLU672 4.4 21.1 1.0 O A:HOH1124 4.5 42.1 1.0 O A:HIS377 4.5 20.7 1.0 O A:HOH970 4.6 19.5 1.0 CB A:GLU672 4.6 21.4 1.0 O A:GLU672 4.7 20.9 1.0 O A:SER674 4.9 19.1 1.0 O6 A:DKX843 4.9 23.8 1.0 N1 A:DKX843 4.9 27.4 1.0 OE2 A:GLU672 4.9 23.2 1.0 C6 A:DKX843 4.9 23.5 1.0 O A:ALA673 5.0 19.8 1.0

V.G.Tsirkone, E.Tsoukala, C.Lamprakis, S.Manta, J.M.Hayes, V.T.Skamnaki, C.Drakou, S.E.Zographos, D.Komiotis, D.D.Leonidas. 1-(3-Deoxy-3-Fluoro-Beta-D-Glucopyranosyl) Pyrimidine Derivatives As Inhibitors of Glycogen Phosphorylase B: Kinetic, Crystallographic and Modelling Studies. Bioorg.Med.Chem. V. 18 3413 2010.
ISSN: ISSN 0968-0896
PubMed: 20430629
DOI: 10.1016/J.BMC.2010.04.004