Fluorine in PDB 7m0u: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib

All present enzymatic activity of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib:
2.7.11.1; 2.7.12.2;

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib, PDB code: 7m0u was solved by K.Li, G.Gonzalez Del-Pino, B.H.Ha, E.Park, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.21 / 3.09
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.722, 115.722, 129.62, 90, 90, 120
R / Rfree (%)	19.1 / 23

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Magnesium	(Mg)	2 atoms

The binding sites of Fluorine atom in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib (pdb code 7m0u). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib, PDB code: 7m0u:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib


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 Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:86.9 occ:1.00 F11 B:QO7501 0.0 86.9 1.0 C10 B:QO7501 1.4 86.4 1.0 C05 B:QO7501 2.4 86.0 1.0 C09 B:QO7501 2.4 79.9 1.0 C18 B:QO7501 2.9 80.0 1.0 N12 B:QO7501 2.9 73.5 1.0 N04 B:QO7501 3.0 82.4 1.0 CG1 B:VAL211 3.1 79.8 1.0 C13 B:QO7501 3.2 78.6 1.0 O B:PHE209 3.4 87.3 1.0 CD2 B:LEU115 3.5 72.9 1.0 C06 B:QO7501 3.7 85.6 1.0 C08 B:QO7501 3.7 82.4 1.0 C17 B:QO7501 4.0 81.3 1.0 N B:VAL211 4.1 82.0 1.0 C07 B:QO7501 4.1 88.8 1.0 CB B:VAL211 4.2 81.0 1.0 CD1 B:LEU118 4.3 76.4 1.0 C03 B:QO7501 4.3 84.8 1.0 C14 B:QO7501 4.5 81.2 1.0 C B:PHE209 4.5 84.9 1.0 N B:SER212 4.5 87.3 1.0 N02 B:QO7501 4.6 76.0 1.0 CA B:VAL211 4.7 83.7 1.0 CD1 B:ILE141 4.7 68.3 1.0 CB B:SER212 4.7 88.0 1.0 CD2 B:LEU215 4.8 81.8 1.0 CG B:LEU115 4.9 65.4 1.0 CD2 B:LEU118 4.9 75.9 1.0 CG B:LEU118 5.0 78.2 1.0 C B:VAL211 5.0 86.1 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:82.1 occ:1.00 F20 B:QO7501 0.0 82.1 1.0 C14 B:QO7501 1.4 81.2 1.0 C15 B:QO7501 2.4 82.4 1.0 C13 B:QO7501 2.4 78.6 1.0 N12 B:QO7501 2.7 73.5 1.0 OD1 B:ASP208 3.2 86.4 1.0 CD1 B:ILE141 3.2 68.3 1.0 O22 B:QO7501 3.5 86.1 1.0 CE B:LYS97 3.6 82.7 1.0 CG2 B:ILE141 3.6 69.8 1.0 C16 B:QO7501 3.6 83.7 1.0 C18 B:QO7501 3.7 80.0 1.0 CB B:ILE141 3.8 67.9 1.0 SD B:MET143 3.8 72.5 1.0 CE B:MET143 4.1 69.7 1.0 CG1 B:ILE141 4.1 64.8 1.0 CD B:LYS97 4.1 77.7 1.0 C17 B:QO7501 4.2 81.3 1.0 C09 B:QO7501 4.2 79.9 1.0 CG B:ASP208 4.4 84.7 1.0 C21 B:QO7501 4.5 86.3 1.0 NZ B:LYS97 4.5 87.8 1.0 CB B:LYS97 4.8 62.5 1.0 C08 B:QO7501 4.8 82.4 1.0 CA B:ASP208 4.8 80.0 1.0 N B:ASP208 4.9 78.9 1.0

K.Li, G.Gonzalez Del-Pino, B.H.Ha, E.Park, M.J.Eck. Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib To Be Published.