Fluorine in PDB 7m0x: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901

All present enzymatic activity of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901:
2.7.11.1; 2.7.12.2;

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901, PDB code: 7m0x 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)	43.57 / 2.47
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.527, 116.527, 130.712, 90, 90, 120
R / Rfree (%)	17.8 / 21.5

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901 also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Iodine	(I)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901 (pdb code 7m0x). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901, PDB code: 7m0x:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901


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 PD0325901 within 5.0Å range: probe atom residue distance (Å) B Occ B:F803 b:37.4 occ:1.00 F24 B:4BM803 0.0 37.4 1.0 C06 B:4BM803 1.4 38.8 1.0 C05 B:4BM803 2.3 36.1 1.0 C01 B:4BM803 2.4 34.3 1.0 N07 B:4BM803 2.7 36.3 1.0 OD1 B:ASP208 3.2 40.7 1.0 CG2 B:ILE141 3.4 30.0 1.0 CD1 B:ILE141 3.6 35.6 1.0 CD B:LYS97 3.6 38.8 1.0 O16 B:4BM803 3.6 45.5 1.0 C04 B:4BM803 3.6 38.6 1.0 C02 B:4BM803 3.6 36.4 1.0 CE B:MET143 3.8 35.5 1.0 CE B:LYS97 3.9 41.1 1.0 NZ B:LYS97 4.0 46.3 1.0 CB B:ILE141 4.0 34.0 1.0 C03 B:4BM803 4.1 34.1 1.0 SD B:MET143 4.1 45.4 1.0 C08 B:4BM803 4.2 38.0 1.0 CG B:ASP208 4.3 42.8 1.0 CG1 B:ILE141 4.4 32.2 1.0 O B:HOH939 4.4 40.9 1.0 SG B:CYS207 4.5 34.7 0.2 C14 B:4BM803 4.6 43.0 1.0 CB B:LYS97 4.6 32.8 1.0 CG B:LYS97 4.7 36.3 1.0 CA B:ASP208 4.7 37.7 1.0 N B:ASP208 4.9 35.7 1.0 C09 B:4BM803 4.9 43.1 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901


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 PD0325901 within 5.0Å range: probe atom residue distance (Å) B Occ B:F803 b:43.2 occ:1.00 F25 B:4BM803 0.0 43.2 1.0 C13 B:4BM803 1.4 36.7 1.0 C12 B:4BM803 2.4 40.7 1.0 C08 B:4BM803 2.4 38.0 1.0 F26 B:4BM803 2.6 43.3 1.0 C02 B:4BM803 2.8 36.4 1.0 N07 B:4BM803 2.8 36.3 1.0 C01 B:4BM803 3.0 34.3 1.0 CG1 B:VAL211 3.2 39.5 1.0 CD2 B:LEU115 3.2 33.0 1.0 O B:PHE209 3.5 36.5 1.0 C09 B:4BM803 3.6 43.1 1.0 C11 B:4BM803 3.6 43.5 1.0 C03 B:4BM803 3.9 34.1 1.0 CD2 B:LEU215 4.1 32.7 1.0 C10 B:4BM803 4.1 40.4 1.0 C06 B:4BM803 4.2 38.8 1.0 CD1 B:LEU118 4.3 31.4 1.0 N B:VAL211 4.4 42.5 1.0 CD1 B:ILE141 4.4 35.6 1.0 CB B:VAL211 4.4 44.0 1.0 CG B:LEU115 4.7 36.6 1.0 C B:PHE209 4.7 38.9 1.0 N B:SER212 4.8 38.7 1.0 C14 B:4BM803 4.8 43.0 1.0 C04 B:4BM803 4.9 38.6 1.0 CA B:VAL211 4.9 43.5 1.0 CB B:SER212 5.0 37.2 1.0 O16 B:4BM803 5.0 45.5 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901 within 5.0Å range: probe atom residue distance (Å) B Occ B:F803 b:43.3 occ:1.00 F26 B:4BM803 0.0 43.3 1.0 C12 B:4BM803 1.4 40.7 1.0 C13 B:4BM803 2.3 36.7 1.0 C11 B:4BM803 2.4 43.5 1.0 F25 B:4BM803 2.6 43.2 1.0 N B:SER212 2.8 38.7 1.0 N B:VAL211 3.1 42.5 1.0 O B:PHE209 3.3 36.5 1.0 O B:SER212 3.4 37.4 1.0 CB B:SER212 3.4 37.2 1.0 CG1 B:VAL211 3.5 39.5 1.0 CA B:SER212 3.5 35.4 1.0 C08 B:4BM803 3.6 38.0 1.0 C10 B:4BM803 3.7 40.4 1.0 C B:GLY210 3.7 42.1 1.0 C B:VAL211 3.7 43.9 1.0 CA B:GLY210 3.8 37.5 1.0 CA B:VAL211 3.8 43.5 1.0 C B:SER212 3.9 38.5 1.0 C09 B:4BM803 4.1 43.1 1.0 CD2 B:LEU215 4.1 32.7 1.0 CB B:VAL211 4.2 44.0 1.0 C B:PHE209 4.3 38.9 1.0 CB B:LEU215 4.3 34.8 1.0 OG B:SER212 4.5 41.8 1.0 CD2 B:LEU115 4.5 33.0 1.0 N B:GLY210 4.5 38.8 1.0 CG B:LEU215 4.6 37.5 1.0 O B:GLY210 4.6 39.8 1.0 CG1 B:ILE216 4.7 34.8 1.0 N07 B:4BM803 4.8 36.3 1.0 O B:VAL211 4.9 43.2 1.0 C02 B:4BM803 4.9 36.4 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 PD0325901 To Be Published.