Chlorine in PDB 8b6i: KRASG12C Ligand Complex

The structure of KRASG12C Ligand Complex, PDB code: 8b6i 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)	21.73 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	33.65, 39.19, 65.59, 95.63, 95.18, 103.25
R / Rfree (%)	19.6 / 24.1

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

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the KRASG12C Ligand Complex (pdb code 8b6i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the KRASG12C Ligand Complex, PDB code: 8b6i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the KRASG12C Ligand Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of KRASG12C Ligand Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:19.3 occ:1.00 CL A:PQI203 0.0 19.3 1.0 C10 A:PQI203 1.7 18.8 1.0 C11 A:PQI203 2.7 19.8 1.0 C9 A:PQI203 2.7 18.6 1.0 O1 A:PQI203 2.9 18.2 1.0 C15 A:PQI203 3.1 18.6 1.0 C16 A:PQI203 3.4 15.9 1.0 C22 A:PQI203 3.4 16.9 1.0 SD A:MET72 3.7 19.1 1.0 CE A:MET72 3.8 22.1 1.0 C8 A:PQI203 4.0 20.7 1.0 CD A:ARG68 4.0 26.6 1.0 C6 A:PQI203 4.0 23.5 1.0 CG2 A:THR58 4.0 14.8 1.0 C20 A:PQI203 4.0 18.0 1.0 CG1 A:VAL9 4.2 16.8 1.0 C12 A:PQI203 4.2 17.8 1.0 NH1 A:ARG68 4.2 26.2 1.0 CB A:THR58 4.3 14.4 1.0 CG A:MET72 4.3 18.7 1.0 NE A:ARG68 4.3 23.8 1.0 CG A:ARG68 4.4 26.5 1.0 C17 A:PQI203 4.4 15.8 1.0 CZ A:ARG68 4.4 29.4 1.0 C7 A:PQI203 4.5 23.2 1.0 OG1 A:THR58 4.5 13.5 1.0 C21 A:PQI203 4.8 20.7 1.0 CB A:VAL9 4.8 13.7 1.0 C19 A:PQI203 4.9 18.2 1.0

Chlorine binding site 2 out of 2 in the KRASG12C Ligand Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of KRASG12C Ligand Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:21.4 occ:1.00 CL B:PQI203 0.0 21.4 1.0 C10 B:PQI203 1.7 21.7 1.0 C11 B:PQI203 2.7 22.7 1.0 C9 B:PQI203 2.7 25.2 1.0 O1 B:PQI203 2.9 21.2 1.0 C15 B:PQI203 3.1 21.7 1.0 C16 B:PQI203 3.3 18.4 1.0 C22 B:PQI203 3.5 19.9 1.0 SD B:MET72 3.5 22.0 1.0 CG1 B:VAL9 3.9 16.3 1.0 CG2 B:THR58 4.0 15.8 1.0 C8 B:PQI203 4.0 26.2 1.0 C6 B:PQI203 4.0 26.9 1.0 C20 B:PQI203 4.0 22.7 1.0 CD B:ARG68 4.1 35.0 1.0 CE B:MET72 4.1 31.1 1.0 CG B:MET72 4.1 24.1 1.0 CG B:ARG68 4.2 33.0 1.0 C12 B:PQI203 4.2 18.2 1.0 C17 B:PQI203 4.3 19.0 1.0 CB B:THR58 4.3 16.8 1.0 NE B:ARG68 4.5 29.8 1.0 C7 B:PQI203 4.5 28.7 1.0 NH1 B:ARG68 4.5 34.0 1.0 OG1 B:THR58 4.6 15.5 1.0 CZ B:ARG68 4.7 35.5 1.0 C21 B:PQI203 4.8 22.7 1.0 CB B:VAL9 4.9 14.6 1.0 C19 B:PQI203 4.9 21.3 1.0 C18 B:PQI203 5.0 18.5 1.0

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