Fluorine in PDB 6vh4: Wild Type Egfr in Complex with LN2380

All present enzymatic activity of Wild Type Egfr in Complex with LN2380:
2.7.10.1;

The structure of Wild Type Egfr in Complex with LN2380, PDB code: 6vh4 was solved by D.E.Heppner, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.16 / 2.80
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	146.534, 146.534, 146.534, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23

The binding sites of Fluorine atom in the Wild Type Egfr in Complex with LN2380 (pdb code 6vh4). 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 Wild Type Egfr in Complex with LN2380, PDB code: 6vh4:

Fluorine binding site 1 out of 1 in the Wild Type Egfr in Complex with LN2380


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Wild Type Egfr in Complex with LN2380 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:75.9 occ:1.00 F36 A:QQM1101 0.0 75.9 1.0 C07 A:QQM1101 1.4 60.7 1.0 C04 A:QQM1101 2.5 56.5 1.0 C10 A:QQM1101 2.5 65.2 1.0 O A:LEU788 3.0 61.5 1.0 C A:LEU788 3.1 59.1 1.0 CB A:LEU788 3.1 60.9 1.0 N A:ILE789 3.5 51.4 1.0 CB A:THR790 3.5 48.7 1.0 C A:ILE789 3.7 46.9 1.0 CA A:LEU788 3.7 60.4 1.0 N A:THR790 3.7 46.4 1.0 CG2 A:THR790 3.8 34.6 1.0 CD1 A:LEU777 3.9 50.8 1.0 C01 A:QQM1101 3.9 64.3 1.0 C12 A:QQM1101 3.9 64.8 1.0 CG A:LEU788 3.9 71.0 1.0 CA A:ILE789 4.0 53.4 1.0 O A:ILE789 4.0 48.3 1.0 CE A:MET766 4.1 45.0 1.0 CA A:THR790 4.2 45.7 1.0 CD2 A:LEU788 4.3 65.9 1.0 O A:ALA743 4.3 56.6 1.0 SD A:MET766 4.4 62.7 1.0 C14 A:QQM1101 4.5 62.2 1.0 OG1 A:THR790 4.6 52.6 1.0 CB A:LYS745 4.7 61.4 1.0 N A:LEU788 4.9 62.0 1.0 N A:LYS745 4.9 61.3 1.0

D.E.Heppner, M.Gunther, F.Wittlinger, S.A.Laufer, M.J.Eck. Structural Basis For Egfr Mutant Inhibition By Trisubstituted Imidazole Inhibitors. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32243152
DOI: 10.1021/ACS.JMEDCHEM.0C00200