Fluorine in PDB 6v32: 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: 6v32 was solved by K.Li, G.Gonzalez Del-Pino, 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, 90.00, 90.00, 120.00
R / Rfree (%) 18.9 / 23

Other elements in 6v32:

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

Magnesium (Mg) 2 atoms
Bromine (Br) 1 atom
Chlorine (Cl) 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 6v32). 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: 6v32:

Fluorine binding site 1 out of 1 in 6v32

Go back to Fluorine Binding Sites List in 6v32
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:0.2
occ:0.83
 F1 B:3EW401 0.0 0.2 0.8
C4 B:3EW401 1.4 0.9 0.8
C3 B:3EW401 2.0 0.5 0.8
N4 B:3EW401 2.4 0.9 0.8
C5 B:3EW401 2.6 89.3 0.8
N1 B:3EW401 3.0 79.5 0.8
C9 B:3EW401 3.0 99.8 0.8
CD2 B:LEU115 3.2 78.8 1.0
CG1 B:VAL211 3.2 0.0 1.0
C8 B:3EW401 3.2 88.4 0.8
C2 B:3EW401 3.3 0.9 0.8
O B:PHE209 3.5 0.1 1.0
C14 B:3EW401 3.7 98.8 0.8
C6 B:3EW401 3.8 95.0 0.8
C1 B:3EW401 4.0 98.7 0.8
N3 B:3EW401 4.1 96.5 0.8
C10 B:3EW401 4.2 0.2 0.8
CD2 B:LEU215 4.3 85.4 1.0
N B:VAL211 4.3 99.3 1.0
CD1 B:LEU118 4.4 82.5 1.0
N B:SER212 4.4 0.7 1.0
C13 B:3EW401 4.6 98.7 0.8
CB B:VAL211 4.6 0.1 1.0
CG B:LEU115 4.6 74.3 1.0
CB B:SER212 4.7 0.7 1.0
C B:PHE209 4.7 0.8 1.0
CD1 B:ILE141 4.8 65.9 1.0
CA B:VAL211 4.9 0.8 1.0
CD1 B:LEU115 4.9 71.9 1.0

Reference:

K.Li, G.Gonzalez Del-Pino, E.Park, M.J.Eck. Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib To Be Published.
Page generated: Sun Dec 13 13:22:42 2020

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