Fluorine in PDB 2rgp: Structure of Egfr in Complex with Hydrazone, A Potent Dual Inhibitor

All present enzymatic activity of Structure of Egfr in Complex with Hydrazone, A Potent Dual Inhibitor:
2.7.10.1;

The structure of Structure of Egfr in Complex with Hydrazone, A Potent Dual Inhibitor, PDB code: 2rgp was solved by M.C.Abad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.850, 68.030, 103.860, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 26.8

The binding sites of Fluorine atom in the Structure of Egfr in Complex with Hydrazone, A Potent Dual Inhibitor (pdb code 2rgp). 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 Structure of Egfr in Complex with Hydrazone, A Potent Dual Inhibitor, PDB code: 2rgp:

Fluorine binding site 1 out of 1 in the Structure of Egfr in Complex with Hydrazone, A Potent Dual Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Egfr in Complex with Hydrazone, A Potent Dual Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:31.0 occ:1.00 F1 A:HYZ1 0.0 31.0 1.0 C6 A:HYZ1 1.3 28.0 1.0 C5 A:HYZ1 2.4 27.9 1.0 C1 A:HYZ1 2.4 26.6 1.0 C A:ARG776 3.1 31.4 1.0 OG1 A:THR790 3.2 30.2 1.0 O A:ARG776 3.3 28.1 1.0 N A:LEU777 3.3 31.3 1.0 C A:CYS775 3.4 30.5 1.0 N A:ARG776 3.4 31.6 1.0 CB A:CYS775 3.4 28.3 1.0 O A:CYS775 3.5 30.9 1.0 CA A:ARG776 3.6 32.5 1.0 C2 A:HYZ1 3.7 26.4 1.0 C4 A:HYZ1 3.7 28.3 1.0 CA A:LEU777 3.8 33.6 1.0 CB A:THR790 3.8 29.4 1.0 O A:HOH1026 3.8 26.5 1.0 OG1 A:THR854 3.9 27.3 1.0 CA A:CYS775 4.0 28.7 1.0 C3 A:HYZ1 4.2 26.5 1.0 O A:HOH1023 4.3 33.4 1.0 CG2 A:THR790 4.4 27.3 1.0 CB A:LEU777 4.4 34.4 1.0 O A:HOH1040 4.7 37.6 1.0 SG A:CYS775 4.9 32.2 1.0 N1 A:HYZ1 5.0 30.0 1.0 C7 A:HYZ1 5.0 29.7 1.0 CB A:THR854 5.0 25.0 1.0

G.Xu, M.C.Abad, P.J.Connolly, M.P.Neeper, G.T.Struble, B.A.Springer, S.L.Emanuel, N.Pandey, R.H.Gruninger, M.Adams, S.Moreno-Mazza, A.R.Fuentes-Pesquera, S.A.Middleton. 4-Amino-6-Arylamino-Pyrimidine-5-Carbaldehyde Hydrazones As Potent Erbb-2/Egfr Dual Kinase Inhibitors. Bioorg.Med.Chem.Lett. V. 18 4615 2008.
ISSN: ISSN 0960-894X
PubMed: 18653333
DOI: 10.1016/J.BMCL.2008.07.020