Chlorine in PDB 5w9e: Toxoplasma Gondii CDPK1 in Complex with Inhibitor Gxj-186

The structure of Toxoplasma Gondii CDPK1 in Complex with Inhibitor Gxj-186, PDB code: 5w9e was solved by M.El Bakkouri, D.Lovato, P.Loppnau, Y.H.Lin, F.Rutaganaria, M.S.Lopez, L.Shokat, C.Bountra, A.M.Edwards, C.H.Arrowsmith, D.Sibley, R.Hui, J.R.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.01 / 2.44
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.997, 72.802, 64.595, 90.00, 98.57, 90.00
R / Rfree (%)	21.1 / 24.9

The binding sites of Chlorine atom in the Toxoplasma Gondii CDPK1 in Complex with Inhibitor Gxj-186 (pdb code 5w9e). 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 Toxoplasma Gondii CDPK1 in Complex with Inhibitor Gxj-186, PDB code: 5w9e:

Chlorine binding site 1 out of 1 in the Toxoplasma Gondii CDPK1 in Complex with Inhibitor Gxj-186


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Toxoplasma Gondii CDPK1 in Complex with Inhibitor Gxj-186 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:49.7 occ:1.00 CL A:9YJ601 0.0 49.7 1.0 CAB A:9YJ601 1.7 47.9 1.0 CAC A:9YJ601 2.7 47.2 1.0 CAV A:9YJ601 2.7 46.7 1.0 CB A:LEU126 3.5 38.3 1.0 O A:HOH739 3.6 40.6 1.0 CD1 A:LEU126 3.8 43.0 1.0 CAU A:9YJ601 4.0 46.1 1.0 CAD A:9YJ601 4.0 46.7 1.0 CD1 A:LEU114 4.1 46.4 1.0 CD1 A:LEU198 4.1 49.0 1.0 CG A:LEU126 4.2 42.8 1.0 CB A:LYS80 4.4 44.9 1.0 CAT A:9YJ601 4.5 46.0 1.0 CE A:MET112 4.5 43.5 1.0 OD1 A:ASP195 4.6 44.4 1.0 CD A:LYS80 4.6 51.7 1.0 O A:LEU126 4.7 42.8 1.0 CD2 A:LEU126 4.7 46.4 1.0 SD A:MET112 4.8 46.6 1.0 CA A:LEU126 4.8 39.0 1.0 CD2 A:LEU198 4.9 51.3 1.0 C A:LEU126 4.9 43.0 1.0 CG A:LEU198 5.0 48.7 1.0

M.El Bakkouri, D.Lovato, P.Loppnau, Y.H.Lin, F.Rutaganaria, M.S.Lopez, L.Shokat, C.Bountra, A.M.Edwards, C.H.Arrowsmith, D.Sibley, R.Hui, J.R.Walker. Toxoplasma Gondii CDPK1 in Complex with Inhibitor Gxj-186 To Be Published.