Chlorine in PDB 4byj: Aurora A Kinase Bound to A Highly Selective Imidazopyridine Inhibitor

All present enzymatic activity of Aurora A Kinase Bound to A Highly Selective Imidazopyridine Inhibitor:
2.7.11.1;

The structure of Aurora A Kinase Bound to A Highly Selective Imidazopyridine Inhibitor, PDB code: 4byj was solved by A.Joshi, M.Kosmopoulou, R.Bayliss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.552 / 2.75
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.249, 82.249, 177.754, 90.00, 90.00, 120.00
R / Rfree (%)	23.14 / 24.77

The binding sites of Chlorine atom in the Aurora A Kinase Bound to A Highly Selective Imidazopyridine Inhibitor (pdb code 4byj). 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 Bound to A Highly Selective Imidazopyridine Inhibitor, PDB code: 4byj:

Chlorine binding site 1 out of 1 in the Aurora A Kinase Bound to A Highly Selective Imidazopyridine Inhibitor


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 Bound to A Highly Selective Imidazopyridine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:0.3 occ:1.00 CL A:FH51 0.0 0.3 1.0 C02 A:FH51 1.7 98.9 1.0 C03 A:FH51 2.7 89.7 1.0 C17 A:FH51 2.8 0.8 1.0 N18 A:FH51 3.2 0.1 1.0 C19 A:FH51 3.3 0.8 1.0 CD2 A:LEU194 3.6 86.9 1.0 C20 A:FH51 3.9 0.1 1.0 CD1 A:LEU210 3.9 75.6 1.0 N04 A:FH51 4.0 84.7 1.0 C16 A:FH51 4.1 97.1 1.0 C26 A:FH51 4.1 0.5 1.0 CB A:ALA160 4.2 93.1 1.0 CD2 A:LEU263 4.2 94.1 1.0 CG1 A:VAL147 4.4 98.8 1.0 C05 A:FH51 4.5 89.5 1.0 CB A:LEU210 4.6 82.8 1.0 C25 A:FH51 4.7 0.3 1.0 O A:GLU211 4.8 85.7 1.0 CG A:LEU210 4.9 78.8 1.0 N21 A:FH51 5.0 0.3 1.0 CG2 A:VAL147 5.0 0.8 1.0

V.Bavetsias, A.Faisal, S.Crumpler, N.Brown, M.Kosmopoulou, A.Joshi, B.Atrash, Y.Perez-Fuertes, J.A.Schmitt, K.J.Boxall, R.Burke, C.Sun, S.Avery, K.Bush, A.Henley, F.I.Raynaud, P.Workman, R.Bayliss, S.Linardopoulos, J.Blagg. Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives As Highly Selective Inhibitors of Aurora-A Kinase in Cells. J.Med.Chem. V. 56 9122 2013.
ISSN: ISSN 0022-2623
PubMed: 24195668
DOI: 10.1021/JM401115G