Fluorine in PDB 2xyu: Crystal Structure of EPHA4 Kinase Domain in Complex with Vuf 12058

All present enzymatic activity of Crystal Structure of EPHA4 Kinase Domain in Complex with Vuf 12058:
2.7.10.1;

The structure of Crystal Structure of EPHA4 Kinase Domain in Complex with Vuf 12058, PDB code: 2xyu was solved by C.J.A.Farenc, P.H.N.Celie, O.P.J.Vanlinden, G.Siegal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.187 / 2.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.544, 91.545, 97.959, 90.00, 90.00, 90.00
R / Rfree (%)	18.94 / 22.98

The binding sites of Fluorine atom in the Crystal Structure of EPHA4 Kinase Domain in Complex with Vuf 12058 (pdb code 2xyu). 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 EPHA4 Kinase Domain in Complex with Vuf 12058, PDB code: 2xyu:

Fluorine binding site 1 out of 1 in the Crystal Structure of EPHA4 Kinase Domain in Complex with Vuf 12058


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 EPHA4 Kinase Domain in Complex with Vuf 12058 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1898 b:29.2 occ:1.00 F18 A:Q9G1898 0.0 29.2 1.0 C17 A:Q9G1898 1.3 28.7 1.0 C16 A:Q9G1898 2.3 22.8 1.0 C19 A:Q9G1898 2.4 26.4 1.0 OG A:SER763 3.3 24.5 1.0 N A:ASP764 3.5 28.2 1.0 C07 A:Q9G1898 3.6 24.5 1.0 C20 A:Q9G1898 3.6 24.8 1.0 CE A:MET674 3.7 23.0 1.0 OE2 A:GLU670 3.8 43.8 1.0 O A:HOH2015 3.9 41.7 1.0 N A:PHE765 3.9 38.4 0.9 C21 A:Q9G1898 4.1 29.4 1.0 SD A:MET674 4.1 36.3 1.0 CA A:ASP764 4.2 28.9 1.0 CG2 A:ILE683 4.2 15.7 1.0 C A:SER763 4.4 21.6 1.0 CB A:SER763 4.5 22.1 1.0 CA A:SER763 4.6 16.7 1.0 C A:ASP764 4.6 30.9 1.0 CD2 A:PHE765 4.6 28.9 0.9 C06 A:Q9G1898 4.8 19.8 1.0 CA A:PHE765 5.0 37.9 0.9 CB A:PHE765 5.0 30.8 0.9

O.P.Van Linden, C.J.A.Farenc, W.H.Zoutman, L.Hameetman, M.Wijtmans, R.Leurs, C.P.Tensen, G.Siegal, I.J.De Esch. Fragment Based Lead Discovery of Small Molecule Inhibitors For the EPHA4 Receptor Tyrosine Kinase. Eur.J.Med.Chem. V. 47 493 2012.
ISSN: ISSN 0223-5234
PubMed: 22137457
DOI: 10.1016/J.EJMECH.2011.11.020