Chlorine in PDB 6bsd: DDR1 Bound to Dasatinib

All present enzymatic activity of DDR1 Bound to Dasatinib:
2.7.10.1;

The structure of DDR1 Bound to Dasatinib, PDB code: 6bsd was solved by G.Georghiou, M.A.Seeliger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.55 / 2.61
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.669, 72.342, 74.656, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 25.5

The binding sites of Chlorine atom in the DDR1 Bound to Dasatinib (pdb code 6bsd). 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 DDR1 Bound to Dasatinib, PDB code: 6bsd:

Chlorine binding site 1 out of 1 in the DDR1 Bound to Dasatinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of DDR1 Bound to Dasatinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:46.6 occ:1.00 CL A:1N1901 0.0 46.6 1.0 C5 A:1N1901 1.7 40.6 1.0 C4 A:1N1901 2.7 42.1 1.0 C6 A:1N1901 2.7 37.0 1.0 N2 A:1N1901 3.0 36.3 1.0 C3 A:1N1901 3.3 33.3 1.0 O A:1N1901 3.3 31.4 1.0 CG1 A:ILE648 3.7 41.6 1.0 CB A:ALA746 4.0 38.1 1.0 C7 A:1N1901 4.0 40.8 1.0 C9 A:1N1901 4.0 35.7 1.0 OD1 A:ASP747 4.1 45.5 1.0 CD1 A:LEU736 4.1 24.7 1.0 CG2 A:ILE648 4.2 34.6 1.0 CB A:ILE648 4.3 38.7 1.0 CD1 A:ILE648 4.3 32.6 1.0 C2 A:1N1901 4.4 41.5 1.0 C8 A:1N1901 4.5 38.8 1.0 O A:HOH1035 4.5 47.7 1.0 CA A:ALA746 4.6 37.9 1.0 CG2 A:THR664 4.9 42.7 1.0 C1 A:1N1901 4.9 37.3 1.0 N A:ASP747 5.0 50.9 1.0

S.M.Hanson, G.Georghiou, M.K.Thakur, W.T.Miller, J.S.Rest, J.D.Chodera, M.A.Seeliger. What Makes A Kinase Promiscuous For Inhibitors? Cell Chem Biol V. 26 390 2019.
ISSN: ESSN 2451-9456
PubMed: 30612951
DOI: 10.1016/J.CHEMBIOL.2018.11.005