Fluorine in PDB 5zwj: Crystal Structure of Egfr 675-1022 T790M/C797S/V948R in Complex with EAI045

All present enzymatic activity of Crystal Structure of Egfr 675-1022 T790M/C797S/V948R in Complex with EAI045:
2.7.10.1;

The structure of Crystal Structure of Egfr 675-1022 T790M/C797S/V948R in Complex with EAI045, PDB code: 5zwj was solved by P.Zhao, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.69 / 2.90
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.586, 79.586, 215.075, 90.00, 90.00, 120.00
R / Rfree (%)	25.5 / 27.2

The binding sites of Fluorine atom in the Crystal Structure of Egfr 675-1022 T790M/C797S/V948R in Complex with EAI045 (pdb code 5zwj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Egfr 675-1022 T790M/C797S/V948R in Complex with EAI045, PDB code: 5zwj:

Fluorine binding site 1 out of 1 in the Crystal Structure of Egfr 675-1022 T790M/C797S/V948R in Complex with EAI045


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Egfr 675-1022 T790M/C797S/V948R in Complex with EAI045 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:74.4 occ:1.00 F06 A:9LL1101 0.0 74.4 1.0 C05 A:9LL1101 1.4 75.5 1.0 C07 A:9LL1101 2.4 72.3 1.0 C04 A:9LL1101 2.4 73.9 1.0 N A:LEU777 3.2 75.0 1.0 C A:ARG776 3.2 75.6 1.0 O A:ARG776 3.5 82.4 1.0 CA A:LEU777 3.6 74.1 1.0 C08 A:9LL1101 3.6 76.2 1.0 C03 A:9LL1101 3.6 74.5 1.0 N A:ARG776 3.7 79.5 1.0 CA A:ARG776 3.7 78.4 1.0 C A:CYS775 3.8 77.2 1.0 O A:CYS775 3.8 75.5 1.0 CB A:LEU777 3.8 68.1 1.0 CB A:CYS775 4.0 81.7 1.0 C02 A:9LL1101 4.1 74.5 1.0 CD1 A:LEU777 4.1 70.5 1.0 OG1 A:THR854 4.2 76.0 1.0 CG A:MET790 4.3 84.0 1.0 SD A:MET790 4.5 0.3 1.0 O17 A:9LL1101 4.5 79.9 1.0 CA A:CYS775 4.5 77.6 1.0 CG A:LEU777 4.6 64.7 1.0 CB A:MET766 4.7 81.1 1.0 C10 A:9LL1101 4.8 73.5 1.0 CB A:MET790 4.8 78.5 1.0 C09 A:9LL1101 4.9 78.5 1.0

P.Zhao, M.Y.Yao, S.J.Zhu, J.Y.Chen, C.H.Yun. Crystal Structure of Egfr T790M/C797S/V948R in Complex with EAI045. Biochem. Biophys. Res. V. 502 332 2018COMMUN..
ISSN: ESSN 1090-2104
PubMed: 29802850
DOI: 10.1016/J.BBRC.2018.05.154