Fluorine in PDB 5eyc: Crystal Structure of C-Met in Complex with Naphthyridinone Inhibitor 5

All present enzymatic activity of Crystal Structure of C-Met in Complex with Naphthyridinone Inhibitor 5:
2.7.10.1;

The structure of Crystal Structure of C-Met in Complex with Naphthyridinone Inhibitor 5, PDB code: 5eyc was solved by D.A.Whittington, A.M.Long, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.74 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.073, 43.267, 158.020, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 24.7

The binding sites of Fluorine atom in the Crystal Structure of C-Met in Complex with Naphthyridinone Inhibitor 5 (pdb code 5eyc). 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 C-Met in Complex with Naphthyridinone Inhibitor 5, PDB code: 5eyc:

Fluorine binding site 1 out of 1 in the Crystal Structure of C-Met in Complex with Naphthyridinone Inhibitor 5


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 C-Met in Complex with Naphthyridinone Inhibitor 5 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:25.4 occ:1.00 F1 A:5SZ1401 0.0 25.4 1.0 C3 A:5SZ1401 1.4 26.0 1.0 C5 A:5SZ1401 2.4 25.3 1.0 C2 A:5SZ1401 2.4 27.1 1.0 N2 A:5SZ1401 3.0 27.4 1.0 O A:ASN1209 3.1 26.2 1.0 C A:ASN1209 3.1 23.6 1.0 CB A:ALA1221 3.1 22.8 1.0 CA A:ASN1209 3.1 22.5 1.0 CB A:ASP1222 3.2 27.1 1.0 N A:ASP1222 3.3 26.0 1.0 C A:ALA1221 3.6 24.9 1.0 N1 A:5SZ1401 3.6 26.4 1.0 C1 A:5SZ1401 3.7 29.2 1.0 CA A:ASP1222 3.7 26.2 1.0 OD1 A:ASN1209 3.8 22.2 1.0 CB A:ASN1209 3.9 21.2 1.0 CA A:ALA1221 3.9 23.5 1.0 N A:CYS1210 3.9 24.7 1.0 O A:ARG1208 4.0 23.3 1.0 C4 A:5SZ1401 4.2 27.6 1.0 N3 A:5SZ1401 4.2 26.8 1.0 CG A:MET1211 4.2 30.2 1.0 CG A:ASN1209 4.3 22.1 1.0 N A:ASN1209 4.3 20.4 1.0 O A:ALA1221 4.3 25.5 1.0 CG A:ASP1222 4.4 32.9 1.0 C6 A:5SZ1401 4.5 25.2 1.0 SD A:MET1211 4.6 32.1 1.0 C A:ARG1208 4.6 22.2 1.0 N A:ALA1221 4.6 24.0 1.0 CE2 A:TYR1230 4.6 30.2 1.0 CA A:CYS1210 4.6 23.7 1.0 CD2 A:TYR1230 4.6 30.8 1.0 C A:CYS1210 4.8 24.1 1.0 C7 A:5SZ1401 4.9 30.1 1.0 OD1 A:ASP1222 4.9 30.6 1.0 O A:CYS1210 5.0 27.3 1.0

A.A.Boezio, K.W.Copeland, K.Rex, B.K Albrecht, D.Bauer, S.F.Bellon, C.Boezio, M.A.Broome, D.Choquette, A.Coxon, I.Dussault, S.Hirai, R.Lewis, M.H.Lin, J.Lohman, J.Liu, E.A.Peterson, M.Potashman, R.Shimanovich, Y.Teffera, D.A.Whittington, K.R.Vaida, J.C.Harmange. Discovery of (R)-6-(1-(8-Fluoro-6-(1-Methyl-1H-Pyrazol-4-Yl)-[1,2, 4]Triazolo[4,3-A]Pyridin-3-Yl)Ethyl)-3-(2-Methoxyethoxy)-1, 6-Naphthyridin-5(6H)-One (Amg 337), A Potent and Selective Inhibitor of Met with High Unbound Target Coverage and Robust in Vivo Antitumor Activity. J.Med.Chem. V. 59 2328 2016.
ISSN: ISSN 0022-2623
PubMed: 26812066
DOI: 10.1021/ACS.JMEDCHEM.5B01716