Chlorine in PDB 2qn3: Glycogen Phosphorylase in Complex with N-4-Chlorobenzoyl-N- Beta-D-Glucopyranosyl Urea

All present enzymatic activity of Glycogen Phosphorylase in Complex with N-4-Chlorobenzoyl-N- Beta-D-Glucopyranosyl Urea:
2.4.1.1;

The structure of Glycogen Phosphorylase in Complex with N-4-Chlorobenzoyl-N- Beta-D-Glucopyranosyl Urea, PDB code: 2qn3 was solved by E.D.Chrysina, C.Tiraidis, K.-M.Alexacou, S.E.Zographos, D.D.Leonidas, N.G.Oikonomakos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.29 / 1.96
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	128.841, 128.841, 116.486, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 20.6

The binding sites of Chlorine atom in the Glycogen Phosphorylase in Complex with N-4-Chlorobenzoyl-N- Beta-D-Glucopyranosyl Urea (pdb code 2qn3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Glycogen Phosphorylase in Complex with N-4-Chlorobenzoyl-N- Beta-D-Glucopyranosyl Urea, PDB code: 2qn3:

Chlorine binding site 1 out of 1 in the Glycogen Phosphorylase in Complex with N-4-Chlorobenzoyl-N- Beta-D-Glucopyranosyl Urea


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glycogen Phosphorylase in Complex with N-4-Chlorobenzoyl-N- Beta-D-Glucopyranosyl Urea within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl998 b:28.2 occ:1.00 CL1 A:F55998 0.0 28.2 1.0 C12 A:F55998 1.7 25.7 1.0 C13 A:F55998 2.7 25.3 1.0 C11 A:F55998 2.7 25.9 1.0 O A:HOH1085 3.6 27.3 1.0 O A:HOH1184 3.7 31.4 1.0 O A:ASN282 4.0 26.0 1.0 C14 A:F55998 4.0 25.3 1.0 C10 A:F55998 4.0 25.4 1.0 NE2 A:HIS341 4.0 18.2 1.0 O A:HOH1255 4.1 31.4 1.0 O A:HOH1174 4.1 35.4 1.0 O A:ALA383 4.4 24.3 1.0 ND2 A:ASN282 4.5 29.9 1.0 C9 A:F55998 4.5 22.5 1.0 CA A:PHE286 4.5 30.0 1.0 NH2 A:ARG292 4.6 19.8 1.0 CE1 A:HIS341 4.7 18.0 1.0 CD2 A:HIS341 4.7 17.9 1.0 CB A:PHE286 4.8 29.6 1.0 CD2 A:PHE286 4.8 27.9 1.0 N A:PHE286 4.9 30.3 1.0

V.Nagy, N.Felf Ldi, J.-P.Praly, T.Dosca, P.Gergerly, E.D.Chrysina, C.Tiraidis, M.N.Kosmopoulou, K.-M.Alexacou, M.Konstantakaki. N-(4-Substituted-Benzoyl)-N'-(Beta-D- Glucopyranosyl)Ureas, Inhibitors of Glycogen Phosphorylase: Synthesis, Kinetic and Crystallographic Evaluation To Be Published.