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

Enzymatic activity of 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;

Protein crystallography data

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

Chlorine Binding Sites:

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 2qn3

Go back to Chlorine Binding Sites List in 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

Reference:

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.
Page generated: Sat Dec 12 09:17:25 2020

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