Chlorine in PDB 3w33: Egfr Kinase Domain Complexed with Compound 19B

All present enzymatic activity of Egfr Kinase Domain Complexed with Compound 19B:
2.7.10.1;

The structure of Egfr Kinase Domain Complexed with Compound 19B, PDB code: 3w33 was solved by S.Sogabe, Y.Kawakita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.878, 69.175, 104.424, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.3

The binding sites of Chlorine atom in the Egfr Kinase Domain Complexed with Compound 19B (pdb code 3w33). 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 Egfr Kinase Domain Complexed with Compound 19B, PDB code: 3w33:

Chlorine binding site 1 out of 1 in the Egfr Kinase Domain Complexed with Compound 19B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Egfr Kinase Domain Complexed with Compound 19B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:24.4 occ:1.00 CL1 A:W191101 0.0 24.4 1.0 C16 A:W191101 1.7 23.6 1.0 C14 A:W191101 2.7 24.9 1.0 C7 A:W191101 2.7 23.3 1.0 O33 A:W191101 2.9 24.6 1.0 O A:LEU788 3.2 22.7 1.0 CG2 A:THR790 3.6 27.1 1.0 C A:LEU788 3.6 22.6 1.0 CB A:LYS745 3.6 23.7 1.0 N A:LYS745 3.6 22.6 1.0 CB A:LEU788 3.7 22.7 1.0 O A:ALA743 3.8 23.4 1.0 C4 A:W191101 4.0 23.5 1.0 C12 A:W191101 4.0 22.5 1.0 CB A:THR790 4.0 26.5 1.0 C6 A:W191101 4.1 26.2 1.0 N A:ILE789 4.1 21.9 1.0 C13 A:W191101 4.1 27.0 1.0 N A:THR790 4.1 23.1 1.0 CA A:LYS745 4.2 25.1 1.0 CA A:LEU788 4.3 24.9 1.0 C A:ALA743 4.3 23.1 1.0 C A:ILE789 4.3 22.0 1.0 CA A:ILE789 4.3 23.7 1.0 C A:ILE744 4.4 23.8 1.0 CA A:ILE744 4.5 21.1 1.0 C10 A:W191101 4.5 25.7 1.0 C2 A:W191101 4.5 23.4 1.0 N A:ILE744 4.6 25.6 1.0 CA A:THR790 4.7 24.6 1.0 CB A:ALA743 4.8 27.0 1.0 CG A:LYS745 4.9 25.7 1.0

Y.Kawakita, M.Seto, T.Ohashi, T.Tamura, T.Yusa, H.Miki, H.Iwata, H.Kamiguchi, T.Tanaka, S.Sogabe, Y.Ohta, T.Ishikawa. Design and Synthesis of Novel Pyrimido[4,5-B]Azepine Derivatives As HER2/Egfr Dual Inhibitors Bioorg.Med.Chem. V. 21 2250 2013.
ISSN: ISSN 0968-0896
PubMed: 23490150
DOI: 10.1016/J.BMC.2013.02.014