Chlorine in PDB 5kcx: Pim-1 Kinase in Complex with A Selective N-Substituted 7-Azaindole Inhibitor

All present enzymatic activity of Pim-1 Kinase in Complex with A Selective N-Substituted 7-Azaindole Inhibitor:
2.7.11.1;

The structure of Pim-1 Kinase in Complex with A Selective N-Substituted 7-Azaindole Inhibitor, PDB code: 5kcx was solved by I.Mechin, L.R.Mclean, Y.Zhang, R.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.00 / 2.20
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	98.010, 98.010, 80.670, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Pim-1 Kinase in Complex with A Selective N-Substituted 7-Azaindole Inhibitor (pdb code 5kcx). 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 Pim-1 Kinase in Complex with A Selective N-Substituted 7-Azaindole Inhibitor, PDB code: 5kcx:

Chlorine binding site 1 out of 1 in the Pim-1 Kinase in Complex with A Selective N-Substituted 7-Azaindole Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pim-1 Kinase in Complex with A Selective N-Substituted 7-Azaindole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:33.6 occ:1.00 CLAK A:6S3403 0.0 33.6 1.0 CAD A:6S3403 1.7 37.7 1.0 CAE A:6S3403 2.7 39.6 1.0 CAA A:6S3403 2.7 33.5 1.0 O A:GLU121 3.0 42.1 1.0 CAI A:6S3403 3.1 42.1 1.0 CB A:ALA65 3.7 30.3 1.0 CD1 A:LEU174 3.7 31.9 1.0 CD1 A:ILE104 3.8 48.6 1.0 CAF A:6S3403 3.9 38.8 1.0 CAB A:6S3403 4.0 36.3 1.0 CG2 A:ILE104 4.1 45.2 1.0 C A:GLU121 4.1 39.9 1.0 CG1 A:ILE104 4.2 48.2 1.0 CA A:ARG122 4.2 38.9 1.0 CB A:LEU120 4.4 33.5 1.0 CAH A:6S3403 4.4 43.9 1.0 CB A:ARG122 4.4 38.5 1.0 NAC A:6S3403 4.4 38.2 1.0 N A:ARG122 4.6 38.5 1.0 CD A:PRO123 4.7 40.1 1.0 CG2 A:ILE185 4.8 28.8 1.0 CB A:ILE104 4.8 44.5 1.0 NAG A:6S3403 4.8 41.2 1.0 CG A:ARG122 4.9 37.4 1.0 O A:LEU120 5.0 32.7 1.0 CD1 A:LEU120 5.0 35.8 1.0 C A:LEU120 5.0 35.5 1.0

C.Barberis, N.Moorcroft, C.Arendt, M.Levit, S.Moreno-Mazza, J.Batchelor, I.Mechin, T.Majid. Discovery of N-Substituted 7-Azaindoles As PIM1 Kinase Inhibitors - Part I. Bioorg. Med. Chem. Lett. V. 27 4730 2017.
ISSN: ESSN 1464-3405
PubMed: 28947155
DOI: 10.1016/J.BMCL.2017.08.069