Chlorine in PDB 8c1k: Aurora A Kinase in Complex with TPX2-Inhibitor CAM2602

All present enzymatic activity of Aurora A Kinase in Complex with TPX2-Inhibitor CAM2602:
2.7.11.1;

The structure of Aurora A Kinase in Complex with TPX2-Inhibitor CAM2602, PDB code: 8c1k was solved by G.Fischer, M.Rocaboy, B.Blaszczyk, T.Moschetti, X.Wang, D.E.Scott, A.G.Coyne, C.Dagostin, T.Rooney, A.Bayly, J.Feng, A.Asteian, A.Alcaide-Lopez, S.Stockwell, J.Skidmore, A.R.Venkitaraman, C.Abell, T.L.Blundell, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.14 / 2.43
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.142, 82.142, 169.177, 90, 90, 120
R / Rfree (%)	21.7 / 24.2

The structure of Aurora A Kinase in Complex with TPX2-Inhibitor CAM2602 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Aurora A Kinase in Complex with TPX2-Inhibitor CAM2602 (pdb code 8c1k). 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 Aurora A Kinase in Complex with TPX2-Inhibitor CAM2602, PDB code: 8c1k:

Chlorine binding site 1 out of 1 in the Aurora A Kinase in Complex with TPX2-Inhibitor CAM2602


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aurora A Kinase in Complex with TPX2-Inhibitor CAM2602 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:88.0 occ:0.99 CL A:T4O401 0.0 88.0 1.0 C9 A:T4O401 1.7 85.7 1.0 C8 A:T4O401 2.7 84.3 1.0 C10 A:T4O401 2.7 85.2 1.0 O3 A:T4O401 2.9 85.7 1.0 CG2 A:VAL182 3.6 83.8 1.0 C11 A:T4O401 3.6 88.9 1.0 CD2 A:TYR199 3.8 86.8 1.0 CG A:ARG179 3.9 93.5 1.0 C7 A:T4O401 4.0 83.4 1.0 N2 A:T4O401 4.0 90.8 1.0 C16 A:T4O401 4.0 85.7 1.0 CG1 A:VAL206 4.1 70.4 1.0 CG A:LEU178 4.1 72.9 1.0 CE2 A:TYR199 4.1 88.4 1.0 CA A:ARG179 4.2 73.0 1.0 CB A:VAL182 4.2 84.1 1.0 CG1 A:VAL182 4.3 84.6 1.0 C12 A:T4O401 4.3 92.0 1.0 N A:ARG179 4.4 73.5 1.0 NE A:ARG179 4.5 113.7 1.0 C6 A:T4O401 4.5 86.8 1.0 CD2 A:LEU178 4.6 73.2 1.0 C A:LEU178 4.6 75.8 1.0 CB A:ARG179 4.6 74.5 1.0 O A:LEU178 4.6 76.5 1.0 CD A:ARG179 4.8 105.3 1.0 CD1 A:LEU178 4.8 72.0 1.0 CB A:LEU178 5.0 68.2 1.0

S.Stockwell, D.Scott, G.Fischer, E.Guarino Almeida, T.Rooney, J.Feng, T.Moschetti, C.Dagostin, A.Alcaide-Lopez, M.Rocaboy, R.Srinivasan, A.Asteian, E.Alza, B.Blaszczyk, X.Wang, M.Rossmann, T.Perrior, T.L.Blundell, D.R.Spring, G.Mckenzie, C.Abell, J.Skidmore, A.Venkitaraman, M.Hyvonen. Selective Inhibitors of the Aurora A-TPX2 Protein-Protein Interaction Exhibit in Vivo Efficacy As Targeted Anti-Mitotic Agent To Be Published.