Fluorine in PDB 8b78: KRASG12C Ligand Complex

The structure of KRASG12C Ligand Complex, PDB code: 8b78 was solved by C.Phillips, J.Breed, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.98 / 1.11
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	94.36, 94.36, 122.47, 90, 90, 120
R / Rfree (%)	22.4 / 23.6

The structure of KRASG12C Ligand Complex also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the KRASG12C Ligand Complex (pdb code 8b78). 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 KRASG12C Ligand Complex, PDB code: 8b78:

Fluorine binding site 1 out of 1 in the KRASG12C Ligand Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of KRASG12C Ligand Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:25.0 occ:1.00 F A:PUO203 0.0 25.0 1.0 C10 A:PUO203 1.4 23.8 1.0 C11 A:PUO203 2.4 23.9 1.0 C9 A:PUO203 2.4 21.9 1.0 O1 A:PUO203 2.7 23.2 1.0 C15 A:PUO203 2.8 24.0 1.0 CL A:PUO203 3.2 23.6 1.0 C20 A:PUO203 3.2 23.0 1.0 CE A:MET72 3.4 24.8 1.0 CG1 A:VAL9 3.5 18.6 1.0 C8 A:PUO203 3.6 22.9 1.0 C6 A:PUO203 3.6 21.2 1.0 C12 A:PUO203 3.7 22.8 1.0 C16 A:PUO203 3.7 23.4 1.0 CB A:VAL9 3.8 15.5 1.0 NH1 A:ARG68 4.0 26.3 1.0 C7 A:PUO203 4.1 21.1 1.0 O2 A:PUO203 4.1 25.6 1.0 CG2 A:THR58 4.3 15.8 1.0 C19 A:PUO203 4.3 22.2 1.0 OG1 A:THR58 4.4 14.5 1.0 CD A:ARG68 4.4 25.1 1.0 CZ A:ARG68 4.5 25.0 1.0 CB A:THR58 4.5 14.3 1.0 NE A:ARG68 4.6 25.1 1.0 CA A:VAL9 4.7 13.0 1.0 C17 A:PUO203 4.7 25.8 1.0 C21 A:PUO203 4.8 27.7 1.0 CG2 A:VAL9 4.9 17.0 1.0 C5 A:PUO203 4.9 22.1 1.0 SD A:MET72 4.9 22.1 1.0 CD1 A:TYR96 5.0 19.3 1.0 C18 A:PUO203 5.0 23.6 1.0

J.G.Kettle, C.Phillips, J.Breed. N/A N/A.