Chlorine in PDB 5tex: Pim-1 Kinase in Complex with A 7-Azaindole

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

The structure of Pim-1 Kinase in Complex with A 7-Azaindole, PDB code: 5tex was solved by I.Mechin, R.Wang, J.D.Batchelor, L.Mclean, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.46 / 2.15
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	97.536, 97.536, 81.104, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 21.7

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

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


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 7-Azaindole within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:65.6 occ:1.00 CL1 A:7AU402 0.0 65.6 1.0 CAA A:7AU402 1.6 49.2 1.0 CAB A:7AU402 2.5 46.0 1.0 CAE A:7AU402 2.6 44.5 1.0 CAK A:7AU402 3.1 48.9 1.0 CAI A:7AU402 3.3 50.8 1.0 CAJ A:7AU402 3.3 49.5 1.0 CD1 A:LEU174 3.4 49.0 1.0 CAC A:7AU402 3.7 43.4 1.0 CAF A:7AU402 3.8 45.4 1.0 CAL A:7AU402 4.0 54.1 1.0 CG A:ARG122 4.2 48.6 1.0 NAD A:7AU402 4.2 45.7 1.0 CB A:ALA65 4.3 43.6 1.0 CD A:PRO123 4.3 52.4 1.0 CB A:ARG122 4.4 48.2 1.0 CA A:ARG122 4.4 49.8 1.0 O A:GLU121 4.4 44.2 1.0 CAO A:7AU402 4.4 50.4 1.0 CG1 A:VAL126 4.5 51.3 1.0 CAH A:7AU402 4.5 49.5 1.0 CD A:ARG122 4.6 48.9 1.0 NAG A:7AU402 4.7 43.5 1.0 CG2 A:VAL126 4.8 51.3 1.0 CG A:LEU174 4.8 44.5 1.0 CAM A:7AU402 4.9 53.9 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