Chlorine in PDB 6mx8: Crystal Structure of Anaplastic Lymphoma Kinase (Alk) Bound By Brigatinib

All present enzymatic activity of Crystal Structure of Anaplastic Lymphoma Kinase (Alk) Bound By Brigatinib:
2.7.10.1;

The structure of Crystal Structure of Anaplastic Lymphoma Kinase (Alk) Bound By Brigatinib, PDB code: 6mx8 was solved by D.R.Dougan, T.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.891, 57.502, 103.986, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.7

The binding sites of Chlorine atom in the Crystal Structure of Anaplastic Lymphoma Kinase (Alk) Bound By Brigatinib (pdb code 6mx8). 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 Crystal Structure of Anaplastic Lymphoma Kinase (Alk) Bound By Brigatinib, PDB code: 6mx8:

Chlorine binding site 1 out of 1 in the Crystal Structure of Anaplastic Lymphoma Kinase (Alk) Bound By Brigatinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Anaplastic Lymphoma Kinase (Alk) Bound By Brigatinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1500 b:43.6 occ:0.75 CL A:6GY1500 0.0 43.6 0.8 C1 A:6GY1500 1.7 47.0 1.0 C6 A:6GY1500 2.7 39.6 1.0 C2 A:6GY1500 2.7 45.2 1.0 N29 A:6GY1500 3.0 47.1 1.0 CD1 A:LEU1196 3.4 44.9 1.0 O41 A:6GY1500 3.7 56.7 1.0 CD1 A:LEU1256 3.9 46.8 1.0 N5 A:6GY1500 3.9 41.9 1.0 N3 A:6GY1500 3.9 40.4 1.0 CB A:LEU1196 4.1 37.5 1.0 C30 A:6GY1500 4.4 59.0 1.0 C4 A:6GY1500 4.4 43.8 1.0 CG A:LEU1196 4.4 40.3 1.0 CB A:ALA1148 4.5 43.7 1.0 CG1 A:VAL1180 4.7 45.1 1.0 O A:GLY1269 4.7 51.6 1.0 P1 A:6GY1500 4.7 58.3 1.0 O A:GLU1197 4.8 38.5 1.0 CD A:LYS1150 4.8 67.3 1.0 CG A:LYS1150 4.9 58.6 1.0

W.S.Huang, S.Liu, D.Zou, M.Thomas, Y.Wang, T.Zhou, J.Romero, A.Kohlmann, F.Li, J.Qi, L.Cai, T.A.Dwight, Y.Xu, R.Xu, R.Dodd, A.Toms, L.Parillon, X.Lu, R.Anjum, S.Zhang, F.Wang, J.Keats, S.D.Wardwell, Y.Ning, Q.Xu, L.E.Moran, Q.K.Mohemmad, H.G.Jang, T.Clackson, N.I.Narasimhan, V.M.Rivera, X.Zhu, D.Dalgarno, W.C.Shakespeare. Discovery of Brigatinib (AP26113), A Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J. Med. Chem. V. 59 4948 2016.
ISSN: ISSN 1520-4804
PubMed: 27144831
DOI: 10.1021/ACS.JMEDCHEM.6B00306