Fluorine in PDB 6y5o: The Crystal Structure of Glycogen Phosphorylase in Complex with 20

All present enzymatic activity of The Crystal Structure of Glycogen Phosphorylase in Complex with 20:
2.4.1.1;

The structure of The Crystal Structure of Glycogen Phosphorylase in Complex with 20, PDB code: 6y5o was solved by E.Kyriakis, S.M.Koulas, V.T.Skamnaki, D.D.Leonidas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.74 / 2.33
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	128.069, 128.069, 116.025, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 21.2

The binding sites of Fluorine atom in the The Crystal Structure of Glycogen Phosphorylase in Complex with 20 (pdb code 6y5o). 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 The Crystal Structure of Glycogen Phosphorylase in Complex with 20, PDB code: 6y5o:

Fluorine binding site 1 out of 1 in the The Crystal Structure of Glycogen Phosphorylase in Complex with 20


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of Glycogen Phosphorylase in Complex with 20 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:61.9 occ:1.00 F1 A:O9Z901 0.0 61.9 1.0 C13 A:O9Z901 1.4 62.4 1.0 C12 A:O9Z901 2.3 60.0 1.0 C14 A:O9Z901 2.3 53.0 1.0 NH1 A:ARG770 3.1 33.0 1.0 CZ A:PHE771 3.2 19.6 1.0 OE2 A:GLU382 3.2 42.0 1.0 CD A:GLU382 3.3 43.4 1.0 C11 A:O9Z901 3.6 52.8 1.0 C15 A:O9Z901 3.6 51.8 1.0 OE1 A:GLU382 3.7 51.3 1.0 O A:HOH1019 3.7 23.3 1.0 NH2 A:ARG770 3.8 33.3 1.0 CZ A:ARG770 3.8 35.5 1.0 CG A:GLU382 3.9 40.3 1.0 CE2 A:PHE771 3.9 20.5 1.0 CD1 A:LEU380 4.0 30.6 1.0 CD2 A:LEU380 4.0 26.6 1.0 C10 A:O9Z901 4.1 53.7 1.0 CE1 A:PHE771 4.1 19.5 1.0 CG A:LEU380 4.4 29.4 1.0 CB A:LEU380 4.6 25.0 1.0 CB A:TYR573 4.8 17.3 1.0 NE A:ARG770 4.9 39.1 1.0 CD2 A:TYR573 4.9 16.7 1.0

B.A.Chetter, E.Kyriakis, D.Barr, A.G.Karra, E.Katsidou, S.M.Koulas, V.T.Skamnaki, T.J.Snape, A.G.Psarra, D.D.Leonidas, J.M.Hayes. Synthetic Flavonoid Derivatives Targeting the Glycogen Phosphorylase Inhibitor Site: Qm/Mm-Pbsa Motivated Synthesis of Substituted 5,7-Dihydroxyflavones, Crystallography, in Vitro Kinetics and Ex-Vivo Cellular Experiments Reveal Novel Potent Inhibitors. Bioorg.Chem. V. 102 04003 2020.
ISSN: ISSN 0045-2068
PubMed: 32771768
DOI: 10.1016/J.BIOORG.2020.104003