Chlorine in PDB 8f1y: Egfr Kinase in Complex with Poziotinib

All present enzymatic activity of Egfr Kinase in Complex with Poziotinib:
2.7.10.1;

The structure of Egfr Kinase in Complex with Poziotinib, PDB code: 8f1y was solved by T.S.Beyett, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.43 / 2.75
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	145.572, 145.572, 145.572, 90, 90, 90
R / Rfree (%)	20.5 / 22.8

The structure of Egfr Kinase in Complex with Poziotinib also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Egfr Kinase in Complex with Poziotinib (pdb code 8f1y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Egfr Kinase in Complex with Poziotinib, PDB code: 8f1y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Egfr Kinase in Complex with Poziotinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Egfr Kinase in Complex with Poziotinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:68.6 occ:1.00 CL1 A:R2E1101 0.0 68.6 1.0 CAR A:R2E1101 1.7 72.5 1.0 CAT A:R2E1101 2.6 76.4 1.0 CAQ A:R2E1101 2.7 67.8 1.0 CL2 A:R2E1101 3.0 74.9 1.0 CE A:MET766 3.3 91.5 1.0 CD1 A:LEU788 3.3 63.5 1.0 OE2 A:GLU762 3.6 86.2 1.0 CB A:LEU788 3.7 59.0 1.0 SD A:MET766 3.8 73.4 1.0 CD A:LYS745 3.8 58.5 1.0 CAV A:R2E1101 3.9 67.0 1.0 CAP A:R2E1101 4.0 71.5 1.0 CD A:GLU762 4.1 78.0 1.0 CG A:LEU788 4.1 76.3 1.0 NZ A:LYS745 4.4 81.3 1.0 CAO A:R2E1101 4.5 72.1 1.0 CG A:GLU762 4.5 60.5 1.0 CB A:LYS745 4.6 63.5 1.0 CE A:LYS745 4.7 81.9 1.0 OE1 A:GLU762 4.7 66.8 1.0 CG A:LYS745 4.8 73.6 1.0 FAW A:R2E1101 5.0 74.5 1.0

Chlorine binding site 2 out of 2 in the Egfr Kinase in Complex with Poziotinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Egfr Kinase in Complex with Poziotinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:74.9 occ:1.00 CL2 A:R2E1101 0.0 74.9 1.0 CAT A:R2E1101 1.7 76.4 1.0 CAR A:R2E1101 2.6 72.5 1.0 CAV A:R2E1101 2.7 67.0 1.0 FAW A:R2E1101 2.9 74.5 1.0 O A:LEU788 3.0 74.9 1.0 CL1 A:R2E1101 3.0 68.6 1.0 O A:ALA743 3.5 65.2 1.0 C A:LEU788 3.5 70.3 1.0 CG2 A:THR790 3.6 49.4 1.0 CB A:LYS745 3.6 63.5 1.0 CB A:LEU788 3.6 59.0 1.0 CB A:THR790 3.9 58.7 1.0 CAQ A:R2E1101 3.9 67.8 1.0 CAO A:R2E1101 4.0 72.1 1.0 N A:THR790 4.0 65.5 1.0 N A:LYS745 4.1 61.7 1.0 N A:ILE789 4.2 71.2 1.0 CA A:LEU788 4.2 72.0 1.0 C A:ILE789 4.3 66.4 1.0 C A:ALA743 4.4 53.1 1.0 CA A:ILE789 4.4 66.6 1.0 CAP A:R2E1101 4.5 71.5 1.0 CA A:LYS745 4.5 74.7 1.0 C A:ILE744 4.6 66.5 1.0 CD A:LYS745 4.6 58.5 1.0 CA A:THR790 4.6 56.0 1.0 CG A:LYS745 4.7 73.6 1.0 CA A:ILE744 4.7 61.8 1.0 CG A:LEU788 4.9 76.3 1.0 N A:ILE744 5.0 64.6 1.0

T.S.Beyett, M.J.Eck. Egfr Kinase in Complex with Poziotinib To Be Published.