Fluorine in PDB 3u6j: Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Pyrazolone Inhibitor

All present enzymatic activity of Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Pyrazolone Inhibitor:
2.7.10.1;

The structure of Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Pyrazolone Inhibitor, PDB code: 3u6j was solved by D.A.Whittington, A.Long, P.Rose, Y.Gu, H.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.194, 65.268, 57.323, 90.00, 117.94, 90.00
R / Rfree (%)	19.3 / 23

The binding sites of Fluorine atom in the Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Pyrazolone Inhibitor (pdb code 3u6j). 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 the VEGFR2 Kinase Domain in Complex with A Pyrazolone Inhibitor, PDB code: 3u6j:

Fluorine binding site 1 out of 1 in the Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Pyrazolone Inhibitor


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 the VEGFR2 Kinase Domain in Complex with A Pyrazolone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:30.2 occ:1.00 F1 A:03X1 0.0 30.2 1.0 C13 A:03X1 1.4 29.8 1.0 C10 A:03X1 2.4 29.5 1.0 C14 A:03X1 2.4 29.3 1.0 O1 A:03X1 2.8 29.8 1.0 CG2 A:VAL848 3.4 34.0 1.0 C9 A:03X1 3.4 29.2 1.0 CG1 A:VAL848 3.5 33.9 1.0 C8 A:03X1 3.5 29.4 1.0 C17 A:03X1 3.6 29.2 1.0 C15 A:03X1 3.7 29.2 1.0 OG1 A:THR916 3.7 28.9 1.0 CB A:ALA866 3.8 32.5 1.0 CB A:VAL848 4.0 35.0 1.0 C16 A:03X1 4.1 29.2 1.0 CB A:LYS868 4.2 30.6 1.0 N A:LYS868 4.5 30.6 1.0 C A:ALA866 4.5 32.2 1.0 O A:ALA866 4.5 31.5 1.0 C5 A:03X1 4.7 29.5 1.0 CE A:LYS868 4.7 29.3 1.0 C7 A:03X1 4.7 29.4 1.0 CA A:LYS868 4.7 30.7 1.0 CA A:ALA866 4.8 33.1 1.0 N2 A:03X1 4.8 29.4 1.0 C A:VAL867 4.8 31.2 1.0 N A:VAL867 4.8 32.0 1.0 CB A:THR916 4.9 27.8 1.0 O4 A:03X1 4.9 29.1 1.0 CA A:VAL848 5.0 35.3 1.0

M.H.Norman, L.Liu, M.Lee, N.Xi, I.Fellows, N.D.D'angelo, C.Dominguez, K.Rex, S.F.Bellon, T.S.Kim, I.Dussault. Structure-Based Design of Novel Class II C-Met Inhibitors: 1. Identification of Pyrazolone-Based Derivatives. J.Med.Chem. V. 55 1858 2012.
ISSN: ISSN 0022-2623
PubMed: 22320343
DOI: 10.1021/JM201330U