Chlorine in PDB 4wag: Phosphatidylinositol 4-Kinase III Beta Crystallized with MI103 Inhibitor

All present enzymatic activity of Phosphatidylinositol 4-Kinase III Beta Crystallized with MI103 Inhibitor:
2.7.1.67;

The structure of Phosphatidylinositol 4-Kinase III Beta Crystallized with MI103 Inhibitor, PDB code: 4wag was solved by D.Chalupska, E.Boura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.14 / 3.41
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	108.353, 108.353, 55.138, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 25.1

The binding sites of Chlorine atom in the Phosphatidylinositol 4-Kinase III Beta Crystallized with MI103 Inhibitor (pdb code 4wag). 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 Phosphatidylinositol 4-Kinase III Beta Crystallized with MI103 Inhibitor, PDB code: 4wag:

Chlorine binding site 1 out of 1 in the Phosphatidylinositol 4-Kinase III Beta Crystallized with MI103 Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phosphatidylinositol 4-Kinase III Beta Crystallized with MI103 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:70.6 occ:1.00 CL A:3K7801 0.0 70.6 1.0 C14 A:3K7801 1.8 57.0 1.0 N18 A:3K7801 2.7 64.6 1.0 C13 A:3K7801 2.8 54.9 1.0 OG A:SER618 3.9 34.6 1.0 N11 A:3K7801 4.0 64.1 1.0 C12 A:3K7801 4.1 50.9 1.0 C10 A:3K7801 4.6 50.7 1.0 CD2 A:LEU678 4.7 20.4 1.0 C3 A:3K7801 4.9 46.7 1.0

I.Mejdrova, D.Chalupska, M.Kogler, M.Sala, P.Plackova, A.Baumlova, H.Hrebabecky, E.Prochazkova, M.Dejmek, R.Guillon, D.Strunin, J.Weber, G.Lee, G.Birkus, H.Mertlikova-Kaiserova, E.Boura, R.Nencka. Highly Selective Phosphatidylinositol 4-Kinase III Beta Inhibitors and Structural Insight Into Their Mode of Action. J.Med.Chem. V. 58 3767 2015.
ISSN: ISSN 0022-2623
PubMed: 25897704
DOI: 10.1021/ACS.JMEDCHEM.5B00499