Chlorine in PDB 3t3e: Glycogen Phosphorylase B in Complex with Glcclu

All present enzymatic activity of Glycogen Phosphorylase B in Complex with Glcclu:
2.4.1.1;

The structure of Glycogen Phosphorylase B in Complex with Glcclu, PDB code: 3t3e was solved by A.L.Kantsadi, 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)	13.91 / 2.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	128.234, 128.234, 116.354, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 23.3

The binding sites of Chlorine atom in the Glycogen Phosphorylase B in Complex with Glcclu (pdb code 3t3e). 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 B in Complex with Glcclu, PDB code: 3t3e:

Chlorine binding site 1 out of 1 in the Glycogen Phosphorylase B in Complex with Glcclu


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glycogen Phosphorylase B in Complex with Glcclu within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl843 b:28.2 occ:1.00 CL1 A:GPQ843 0.0 28.2 1.0 C5 A:GPQ843 1.7 23.9 1.0 C6 A:GPQ843 2.7 21.1 1.0 C4 A:GPQ843 2.8 23.6 1.0 O4 A:GPQ843 3.0 21.1 1.0 CB A:THR378 3.6 24.4 1.0 CG2 A:THR378 3.6 26.1 1.0 OD1 A:ASN284 3.8 29.7 1.0 CB A:HIS377 3.9 18.8 1.0 OD1 A:ASP339 3.9 30.2 1.0 N1 A:GPQ843 4.0 22.6 1.0 O A:HIS377 4.0 20.8 1.0 N3 A:GPQ843 4.0 23.7 1.0 C A:HIS377 4.1 20.6 1.0 CG A:ASP339 4.4 22.6 1.0 N A:THR378 4.5 22.7 1.0 OG1 A:THR378 4.5 28.7 1.0 CG A:ASN284 4.5 28.6 1.0 CB A:ALA383 4.5 25.0 1.0 C2 A:GPQ843 4.5 23.5 1.0 CA A:HIS377 4.6 19.5 1.0 CA A:THR378 4.6 24.5 1.0 OD2 A:ASP339 4.6 26.9 1.0 CA A:ASN284 4.6 28.5 1.0 CD1 A:LEU136 4.7 17.4 1.0 N A:ASN284 5.0 29.3 1.0

A.L.Kantsadi, J.M.Hayes, S.Manta, V.T.Skamnaki, C.Kiritsis, A.M.Psarra, Z.Koutsogiannis, A.Dimopoulou, S.Theofanous, N.Nikoleousakos, P.Zoumpoulakis, M.Kontou, G.Papadopoulos, S.E.Zographos, D.Komiotis, D.D.Leonidas. The Sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides Towards Glycogen Phosphorylase  B Chemmedchem V. 7 722 2012.
ISSN: ISSN 1860-7179
PubMed: 22267166
DOI: 10.1002/CMDC.201100533