Fluorine in PDB 4u7z: Mitogen-Activated Protein Kinase Kinase (MEK1) Bound to G805

All present enzymatic activity of Mitogen-Activated Protein Kinase Kinase (MEK1) Bound to G805:
2.7.12.2;

The structure of Mitogen-Activated Protein Kinase Kinase (MEK1) Bound to G805, PDB code: 4u7z was solved by K.D.Robarge, M.H.Ultsch, C.Wiesmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.66 / 2.81
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	81.845, 81.845, 129.604, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 21.4

The structure of Mitogen-Activated Protein Kinase Kinase (MEK1) Bound to G805 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Bromine	(Br)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Mitogen-Activated Protein Kinase Kinase (MEK1) Bound to G805 (pdb code 4u7z). 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 Mitogen-Activated Protein Kinase Kinase (MEK1) Bound to G805, PDB code: 4u7z:

Fluorine binding site 1 out of 1 in the Mitogen-Activated Protein Kinase Kinase (MEK1) Bound to G805


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mitogen-Activated Protein Kinase Kinase (MEK1) Bound to G805 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:52.0 occ:1.00 F1 A:3EW502 0.0 52.0 1.0 C4 A:3EW502 1.3 44.5 1.0 C3 A:3EW502 2.4 46.2 1.0 C5 A:3EW502 2.4 43.9 1.0 C9 A:3EW502 2.8 53.2 1.0 N1 A:3EW502 2.8 47.6 1.0 CG1 A:VAL211 2.9 53.4 1.0 N4 A:3EW502 3.0 49.0 1.0 C8 A:3EW502 3.1 56.3 1.0 CD2 A:LEU115 3.3 60.0 1.0 O A:PHE209 3.6 51.5 1.0 C2 A:3EW502 3.6 48.9 1.0 C6 A:3EW502 3.6 47.8 1.0 C10 A:3EW502 3.9 56.8 1.0 CD1 A:ILE141 4.0 50.5 1.0 C1 A:3EW502 4.1 46.2 1.0 C14 A:3EW502 4.3 51.7 1.0 CD1 A:LEU118 4.3 50.5 1.0 C13 A:3EW502 4.3 61.5 1.0 N A:VAL211 4.4 58.8 1.0 CB A:VAL211 4.4 56.5 1.0 CD1 A:LEU215 4.4 55.9 1.0 N3 A:3EW502 4.6 53.4 1.0 CG A:LEU115 4.7 57.1 1.0 C A:PHE209 4.8 51.1 1.0 CA A:VAL211 4.9 54.0 1.0 N A:SER212 4.9 55.2 1.0 C11 A:3EW502 4.9 64.0 1.0 C7 A:3EW502 4.9 57.7 1.0

K.D.Robarge, W.Lee, C.Eigenbrot, M.Ultsch, C.Wiesmann, R.Heald, S.Price, J.Hewitt, P.Jackson, P.Savy, B.Burton, E.F.Choo, J.Pang, J.Boggs, A.Yang, X.Yang, M.Baumgardner. Structure Based Design of Novel 6,5 Heterobicyclic Mitogen-Activated Protein Kinase Kinase (Mek) Inhibitors Leading to the Discovery of Imidazo[1,5-A] Pyrazine G-479. Bioorg.Med.Chem.Lett. V. 24 4714 2014.
ISSN: ESSN 1464-3405
PubMed: 25193232
DOI: 10.1016/J.BMCL.2014.08.008