Chlorine in PDB 5tel: 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: 5tel was solved by I.Mechin, R.Wang, J.D.Batchelor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.10 / 2.21
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	97.474, 97.474, 80.788, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 20.7

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

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:71.3 occ:1.00 CLJ A:7AJ402 0.0 71.3 1.0 CAD A:7AJ402 1.7 48.7 1.0 CAE A:7AJ402 2.7 46.7 1.0 CAA A:7AJ402 2.7 44.0 1.0 CAI A:7AJ402 3.2 43.9 1.0 CD1 A:LEU174 3.6 38.2 1.0 CG A:ARG122 3.8 45.3 1.0 CAF A:7AJ402 3.9 48.2 1.0 CB A:ALA65 3.9 33.4 1.0 CAB A:7AJ402 4.0 40.7 1.0 CB A:ARG122 4.0 42.2 1.0 CA A:ARG122 4.2 42.3 1.0 CD1 A:LEU44 4.2 42.4 1.0 CD A:ARG122 4.2 42.2 1.0 O A:GLU121 4.3 42.3 1.0 CD A:PRO123 4.4 47.8 1.0 NAC A:7AJ402 4.4 44.5 1.0 CAH A:7AJ402 4.5 48.0 1.0 CG1 A:VAL126 4.6 43.1 1.0 O A:HOH516 4.7 74.5 1.0 NAG A:7AJ402 4.8 43.6 1.0 N A:PRO123 5.0 47.6 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