Fluorine in PDB 7m0t: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib

Enzymatic activity of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib

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

Protein crystallography data

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib, PDB code: 7m0t 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) 43.44 / 3.19
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 116.964, 116.964, 129.733, 90, 90, 120
R / Rfree (%) 19.7 / 25.4

Other elements in 7m0t:

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

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

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib (pdb code 7m0t). 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 Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib, PDB code: 7m0t:

Fluorine binding site 1 out of 1 in 7m0t

Go back to Fluorine Binding Sites List in 7m0t
Fluorine binding site 1 out of 1 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib


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 Selumetinib within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:108.2
occ:0.84
 F1 B:3EW401 0.0 108.2 0.8
C4 B:3EW401 1.4 112.2 0.8
C3 B:3EW401 2.3 113.2 0.8
C5 B:3EW401 2.4 107.5 0.8
C9 B:3EW401 2.8 102.3 0.8
N1 B:3EW401 2.9 97.1 0.8
N4 B:3EW401 2.9 110.9 0.8
CG1 B:VAL211 3.1 108.0 1.0
C8 B:3EW401 3.1 98.5 0.8
O B:PHE209 3.4 118.4 1.0
CD2 B:LEU115 3.4 88.3 1.0
C2 B:3EW401 3.6 113.1 0.8
C6 B:3EW401 3.7 112.1 0.8
C10 B:3EW401 3.9 105.9 0.8
C1 B:3EW401 4.1 114.7 0.8
C14 B:3EW401 4.2 111.1 0.8
CD1 B:LEU118 4.2 93.8 1.0
N B:VAL211 4.3 110.3 1.0
N B:SER212 4.4 115.5 1.0
C B:PHE209 4.5 118.0 1.0
CB B:VAL211 4.5 110.0 1.0
C13 B:3EW401 4.5 101.1 0.8
N3 B:3EW401 4.5 108.3 0.8
CD2 B:LEU215 4.6 103.6 1.0
CB B:SER212 4.7 105.2 1.0
CG B:LEU115 4.8 81.6 1.0
CA B:VAL211 4.8 111.3 1.0
N B:PHE209 4.9 106.1 1.0
CD1 B:ILE141 5.0 87.9 1.0

Reference:

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 Selumetinib To Be Published.
Page generated: Fri Aug 2 09:14:02 2024

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