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Chlorine in PDB 3s0j: The Crystal Structure of Glycogen Phosphorylase B in Complex with 2,5- Dihydroxy-4-(Beta-D-Glucopyranosyl)-Chlorobenzene

Enzymatic activity of The Crystal Structure of Glycogen Phosphorylase B in Complex with 2,5- Dihydroxy-4-(Beta-D-Glucopyranosyl)-Chlorobenzene

All present enzymatic activity of The Crystal Structure of Glycogen Phosphorylase B in Complex with 2,5- Dihydroxy-4-(Beta-D-Glucopyranosyl)-Chlorobenzene:
2.4.1.1;

Protein crystallography data

The structure of The Crystal Structure of Glycogen Phosphorylase B in Complex with 2,5- Dihydroxy-4-(Beta-D-Glucopyranosyl)-Chlorobenzene, PDB code: 3s0j was solved by K.-M.Alexacou, S.E.Zographos, E.D.Chrysina, N.G.Oikonomakos, D.D.Leonidas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 128.450, 128.450, 116.364, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Glycogen Phosphorylase B in Complex with 2,5- Dihydroxy-4-(Beta-D-Glucopyranosyl)-Chlorobenzene (pdb code 3s0j). 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 The Crystal Structure of Glycogen Phosphorylase B in Complex with 2,5- Dihydroxy-4-(Beta-D-Glucopyranosyl)-Chlorobenzene, PDB code: 3s0j:

Chlorine binding site 1 out of 1 in 3s0j

Go back to Chlorine Binding Sites List in 3s0j
Chlorine binding site 1 out of 1 in the The Crystal Structure of Glycogen Phosphorylase B in Complex with 2,5- Dihydroxy-4-(Beta-D-Glucopyranosyl)-Chlorobenzene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Glycogen Phosphorylase B in Complex with 2,5- Dihydroxy-4-(Beta-D-Glucopyranosyl)-Chlorobenzene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl998

b:28.1
occ:1.00
 CL5 A:Z15998 0.0 28.1 1.0
C5 A:Z15998 1.7 26.3 1.0
C4 A:Z15998 2.7 26.3 1.0
C6 A:Z15998 2.7 26.0 1.0
O4 A:Z15998 2.9 27.3 1.0
OD2 A:ASP339 3.6 26.1 0.5
NE2 A:HIS341 3.7 25.9 1.0
CE1 A:HIS341 3.7 25.8 1.0
N A:ASN284 3.7 35.5 1.0
O A:HOH1065 3.8 48.2 1.0
OD1 A:ASP339 3.9 24.0 0.5
C3 A:Z15998 4.0 25.9 1.0
C1 A:Z15998 4.0 26.4 1.0
CA A:ASN284 4.0 36.1 1.0
CD1 A:LEU136 4.5 27.8 1.0
C2 A:Z15998 4.5 25.9 1.0
CG A:ASP339 4.7 23.3 0.5
CG A:ASP339 4.7 24.0 0.5
N A:PHE285 4.8 35.9 1.0
C A:ASN284 4.9 35.9 1.0
C A:ASP283 4.9 34.9 1.0
ND1 A:HIS341 5.0 24.3 1.0

Reference:

K.M.Alexacou, Y.Z.Zhang, J.P.Praly, S.E.Zographos, E.D.Chrysina, N.G.Oikonomakos, D.D.Leonidas. Halogen-Substituted (C-Beta-D-Glucopyranosyl)-Hydroquinone Regioisomers: Synthesis, Enzymatic Evaluation and Their Binding to Glycogen Phosphorylase. Bioorg.Med.Chem. V. 19 5125 2011.
ISSN: ISSN 0968-0896
PubMed: 21821421
DOI: 10.1016/J.BMC.2011.07.024
Page generated: Sun Jul 21 04:04:35 2024

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