Fluorine in PDB 3syr: Glycogen Phosphorylase B in Complex with Beta-D-Glucopyranonucleoside 5-Fluorouracil

All present enzymatic activity of Glycogen Phosphorylase B in Complex with Beta-D-Glucopyranonucleoside 5-Fluorouracil:
2.4.1.1;

The structure of Glycogen Phosphorylase B in Complex with Beta-D-Glucopyranonucleoside 5-Fluorouracil, PDB code: 3syr was solved by V.T.Skamnaki, A.L.Kantsadi, M.Kontou, D.D.Leonidas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.63 / 2.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	128.556, 128.556, 116.282, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.7

The binding sites of Fluorine atom in the Glycogen Phosphorylase B in Complex with Beta-D-Glucopyranonucleoside 5-Fluorouracil (pdb code 3syr). 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 Glycogen Phosphorylase B in Complex with Beta-D-Glucopyranonucleoside 5-Fluorouracil, PDB code: 3syr:

Fluorine binding site 1 out of 1 in the Glycogen Phosphorylase B in Complex with Beta-D-Glucopyranonucleoside 5-Fluorouracil


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Glycogen Phosphorylase B in Complex with Beta-D-Glucopyranonucleoside 5-Fluorouracil within 5.0Å range: probe atom residue distance (Å) B Occ A:F843 b:14.8 occ:1.00 F1 A:GPK843 0.0 14.8 1.0 C2 A:GPK843 1.3 14.8 1.0 C1 A:GPK843 2.4 13.7 1.0 C3 A:GPK843 2.4 14.8 1.0 O3 A:GPK843 2.7 15.7 1.0 O A:HOH1020 3.2 21.3 1.0 CG2 A:THR378 3.3 13.7 1.0 CB A:THR378 3.4 14.7 1.0 OD1 A:ASN284 3.4 22.1 1.0 N4 A:GPK843 3.6 13.6 1.0 N1' A:GPK843 3.6 12.9 1.0 CB A:HIS377 4.0 10.9 1.0 O A:HIS377 4.0 12.9 1.0 CG A:ASN284 4.1 22.4 1.0 C5 A:GPK843 4.1 12.7 1.0 C A:HIS377 4.1 12.5 1.0 OG1 A:THR378 4.3 16.4 1.0 OD1 A:ASP339 4.3 20.7 1.0 N A:THR378 4.4 13.3 1.0 ND2 A:ASN284 4.5 24.5 1.0 CA A:ASN284 4.5 21.4 1.0 CA A:THR378 4.5 14.6 1.0 CA A:HIS377 4.7 11.7 1.0 CD1 A:LEU136 4.7 10.3 1.0 N A:ASN284 4.8 21.6 1.0 CB A:ALA383 4.8 18.8 1.0 CG A:ASP339 4.8 14.9 1.0 C1' A:GPK843 4.9 12.9 1.0 CB A:ASN284 4.9 21.3 1.0 OD2 A:ASP339 5.0 17.9 1.0

S.Manta, A.Xipnitou, C.Kiritsis, A.L.Kantsadi, J.M.Hayes, V.T.Skamnaki, C.Lamprakis, M.Kontou, P.Zoumpoulakis, S.E.Zographos, D.D.Leonidas, D.Komiotis. 3'-Axial Ch(2) Oh Substitution on Glucopyranose Does Not Increase Glycogen Phosphorylase Inhibitory Potency. Qm/Mm-Pbsa Calculations Suggest Why. Chem.Biol.Drug Des. V. 79 663 2012.
ISSN: ISSN 1747-0277
PubMed: 22296957
DOI: 10.1111/J.1747-0285.2012.01349.X