Fluorine in PDB 8hy7: Egfr Kinase Domain Mutant "Tmlr" with Compound 28F

All present enzymatic activity of Egfr Kinase Domain Mutant "Tmlr" with Compound 28F:
2.7.10.1;

The structure of Egfr Kinase Domain Mutant "Tmlr" with Compound 28F, PDB code: 8hy7 was solved by Y.X.Wang, C.Y.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.20 / 2.91
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	146.2, 146.2, 146.2, 90, 90, 90
R / Rfree (%)	19.5 / 25.1

The binding sites of Fluorine atom in the Egfr Kinase Domain Mutant "Tmlr" with Compound 28F (pdb code 8hy7). 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 Egfr Kinase Domain Mutant "Tmlr" with Compound 28F, PDB code: 8hy7:

Fluorine binding site 1 out of 1 in the Egfr Kinase Domain Mutant "Tmlr" with Compound 28F


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Egfr Kinase Domain Mutant "Tmlr" with Compound 28F within 5.0Å range: probe atom residue distance (Å) B Occ A:F1102 b:56.9 occ:1.00 F11 A:NSO1102 0.0 56.9 1.0 C09 A:NSO1102 1.4 62.0 1.0 C10 A:NSO1102 2.4 59.2 1.0 C08 A:NSO1102 2.4 56.5 1.0 H1 A:NSO1102 2.6 70.9 1.0 H7 A:NSO1102 2.7 67.8 1.0 HG A:CYS775 3.1 104.2 1.0 HG1 A:THR854 3.1 113.6 1.0 SD A:MET790 3.5 101.8 1.0 HB2 A:MET790 3.5 84.8 1.0 HB3 A:MET790 3.7 84.8 1.0 C04 A:NSO1102 3.7 60.6 1.0 C07 A:NSO1102 3.7 60.5 1.0 OG1 A:THR854 3.8 94.7 1.0 HE3 A:MET790 3.9 103.1 1.0 CB A:MET790 3.9 70.7 1.0 HB3 A:ALA743 4.1 72.2 1.0 CE A:MET790 4.1 85.9 1.0 SG A:CYS775 4.2 86.9 1.0 C05 A:NSO1102 4.2 61.9 1.0 HE1 A:MET790 4.2 103.1 1.0 CG A:MET790 4.2 78.1 1.0 HG2 A:MET790 4.4 93.7 1.0 HD22 A:LEU844 4.4 87.7 1.0 H6 A:NSO1102 4.6 72.5 1.0 HE1 A:MET766 4.6 124.4 1.0 O A:HOH1202 4.6 108.2 1.0 HB1 A:ALA743 4.7 72.2 1.0 HG21 A:THR854 4.7 94.2 1.0 H2 A:NSO1102 4.8 75.7 1.0 CB A:ALA743 4.8 60.2 1.0 C03 A:NSO1102 4.9 61.5 1.0 HE3 A:MET766 4.9 124.4 1.0 HB2 A:LYS745 5.0 94.0 1.0 CB A:THR854 5.0 84.5 1.0

Y.X.Wang, C.Y.Wu. The Crystal Structure of Egfr Kinase Domain(T790M/L858R) in Complex with Compound 28F To Be Published.