Chlorine in PDB 3zdi: Glycogen Synthase Kinase 3 Beta Complexed with Axin Peptide and Inhibitor 7D

All present enzymatic activity of Glycogen Synthase Kinase 3 Beta Complexed with Axin Peptide and Inhibitor 7D:
2.7.11.1; 2.7.11.26;

The structure of Glycogen Synthase Kinase 3 Beta Complexed with Axin Peptide and Inhibitor 7D, PDB code: 3zdi was solved by A.E.Oberholzer, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.046 / 2.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.147, 76.157, 86.545, 90.00, 90.00, 90.00
R / Rfree (%)	20.11 / 24.23

The binding sites of Chlorine atom in the Glycogen Synthase Kinase 3 Beta Complexed with Axin Peptide and Inhibitor 7D (pdb code 3zdi). 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 Synthase Kinase 3 Beta Complexed with Axin Peptide and Inhibitor 7D, PDB code: 3zdi:

Chlorine binding site 1 out of 1 in the Glycogen Synthase Kinase 3 Beta Complexed with Axin Peptide and Inhibitor 7D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glycogen Synthase Kinase 3 Beta Complexed with Axin Peptide and Inhibitor 7D within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1386 b:58.4 occ:1.00 CL A:UGJ1386 0.0 58.4 1.0 C13 A:UGJ1386 1.7 47.1 1.0 C12 A:UGJ1386 2.7 44.3 1.0 C08 A:UGJ1386 2.7 48.2 1.0 C07 A:UGJ1386 3.0 49.0 1.0 C15 A:UGJ1386 3.5 51.0 1.0 C06 A:UGJ1386 3.6 49.4 1.0 C A:GLY63 3.6 65.6 1.0 CA A:GLY63 3.7 65.1 1.0 CB A:VAL70 3.8 47.2 1.0 N A:GLY63 3.8 63.9 1.0 C16 A:UGJ1386 3.8 50.8 1.0 CG2 A:ILE62 3.8 49.7 1.0 O A:GLY63 3.9 65.5 1.0 CG2 A:VAL70 3.9 43.0 1.0 C11 A:UGJ1386 4.0 44.8 1.0 C09 A:UGJ1386 4.0 47.9 1.0 N A:ASN64 4.0 64.2 1.0 N01 A:UGJ1386 4.1 52.0 1.0 C02 A:UGJ1386 4.1 50.7 1.0 C A:ILE62 4.2 63.0 1.0 C A:ASN64 4.3 55.9 1.0 O A:ASN64 4.3 54.9 1.0 CG1 A:VAL70 4.3 44.7 1.0 CB A:ILE62 4.4 53.3 1.0 N17 A:UGJ1386 4.4 51.9 1.0 C18 A:UGJ1386 4.5 50.9 1.0 N A:GLY65 4.5 55.3 1.0 C10 A:UGJ1386 4.5 46.3 1.0 C05 A:UGJ1386 4.5 50.1 1.0 O A:ILE62 4.6 65.3 1.0 CA A:ASN64 4.7 59.7 1.0 CA A:GLY65 4.9 52.1 1.0 N20 A:UGJ1386 4.9 50.4 1.0 CA A:VAL70 5.0 54.0 1.0 CA A:ILE62 5.0 58.7 1.0

W.Fugel, A.E.Oberholzer, B.Gschloessl, R.Dzikowski, N.Pressburger, L.Preu, L.H.Pearl, B.Baratte, M.Ratin, I.Okun, C.Doerig, S.Kruggel, T.Lemcke, L.Meijer, C.Kunick. 3,6-Diamino-4-(2-Halophenyl)-2-Benzoylthieno(2,3-B) Pyridine-5-Carbonitriles Are Selective Inhibitors of Plasmodium Falciparum Glycogen Synthase Kinase-3 (Pfgsk-3) J.Med.Chem. V. 56 264 2013.
ISSN: ISSN 0022-2623
PubMed: 23214499
DOI: 10.1021/JM301575N