Iodine in PDB 3t3h: Glycogen Phosphorylase B in Complex with Glciu

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

The structure of Glycogen Phosphorylase B in Complex with Glciu, PDB code: 3t3h 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)	13.55 / 2.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	128.507, 128.507, 116.334, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 22.1

The binding sites of Iodine atom in the Glycogen Phosphorylase B in Complex with Glciu (pdb code 3t3h). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Glycogen Phosphorylase B in Complex with Glciu, PDB code: 3t3h:

Iodine binding site 1 out of 1 in the Glycogen Phosphorylase B in Complex with Glciu


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Glycogen Phosphorylase B in Complex with Glciu within 5.0Å range: probe atom residue distance (Å) B Occ A:I843 b:17.9 occ:1.00 I A:GPV843 0.0 17.9 1.0 C5 A:GPV843 2.1 20.6 1.0 C6 A:GPV843 3.1 18.5 1.0 C4 A:GPV843 3.1 19.5 1.0 O4 A:GPV843 3.3 19.3 1.0 OD1 A:ASP339 3.8 15.4 1.0 OD2 A:ASP339 3.8 15.0 1.0 CG A:ASP339 3.9 11.2 1.0 CB A:THR378 4.0 17.3 1.0 CG2 A:THR378 4.0 17.6 1.0 CB A:HIS377 4.0 14.4 1.0 CD1 A:LEU136 4.2 20.2 1.0 O A:HIS377 4.3 14.8 1.0 C A:HIS377 4.3 15.0 1.0 OD1 A:ASN284 4.3 22.8 1.0 N1 A:GPV843 4.4 17.2 1.0 N3 A:GPV843 4.4 21.0 1.0 N A:THR378 4.6 15.6 1.0 CA A:HIS377 4.6 14.4 1.0 CB A:ASP339 4.8 11.6 1.0 CB A:ALA383 4.8 19.8 1.0 OG1 A:THR378 4.9 20.5 1.0 CG A:ASN284 4.9 20.4 1.0 CA A:THR378 4.9 17.0 1.0 C2 A:GPV843 4.9 18.9 1.0 N A:HIS377 4.9 13.9 1.0 NE2 A:HIS341 5.0 9.4 1.0 O A:ALA383 5.0 21.0 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