Chlorine in PDB 5ocg: Discovery of Small Molecules Binding to Kras Via High Affinity Antibody Fragment Competition Method.

The structure of Discovery of Small Molecules Binding to Kras Via High Affinity Antibody Fragment Competition Method., PDB code: 5ocg was solved by A.Cruz-Migoni, M.T.Ehebauer, S.E.V.Phillips, C.E.Quevedo, T.H.Rabbitts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.00 / 1.48
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	78.085, 78.085, 77.650, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 20.4

The structure of Discovery of Small Molecules Binding to Kras Via High Affinity Antibody Fragment Competition Method. also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Discovery of Small Molecules Binding to Kras Via High Affinity Antibody Fragment Competition Method. (pdb code 5ocg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Discovery of Small Molecules Binding to Kras Via High Affinity Antibody Fragment Competition Method., PDB code: 5ocg:

Chlorine binding site 1 out of 1 in the Discovery of Small Molecules Binding to Kras Via High Affinity Antibody Fragment Competition Method.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of Small Molecules Binding to Kras Via High Affinity Antibody Fragment Competition Method. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:32.9 occ:1.00 CL A:9R5203 0.0 32.9 1.0 C2 A:9R5203 1.7 28.5 1.0 C1 A:9R5203 2.7 33.6 1.0 C3 A:9R5203 2.7 31.6 1.0 O A:ASP54 3.3 24.4 1.0 O A:LEU6 3.5 18.4 1.0 N A:LEU6 3.7 16.6 1.0 CB A:LYS5 3.7 23.4 1.0 CA A:LYS5 3.9 19.1 1.0 N A:LEU56 3.9 17.8 1.0 C A:LYS5 3.9 16.1 1.0 CB A:LEU56 4.0 18.8 1.0 C4 A:9R5203 4.0 27.5 1.0 C6 A:9R5203 4.0 26.0 1.0 C A:ASP54 4.0 21.7 1.0 CG2 A:VAL7 4.0 17.8 1.0 C A:LEU6 4.0 16.3 1.0 CG A:ASP54 4.3 31.5 1.0 CG A:LYS5 4.3 27.9 1.0 C A:ILE55 4.4 19.1 1.0 OD2 A:ASP54 4.4 42.3 1.0 C5 A:9R5203 4.5 32.7 1.0 CB A:ASP54 4.5 24.3 1.0 CA A:LEU56 4.5 15.8 1.0 OD1 A:ASP54 4.5 42.3 1.0 CA A:LEU6 4.5 15.7 1.0 N A:ILE55 4.6 19.6 1.0 CA A:ILE55 4.6 19.4 1.0 O A:LYS5 4.7 18.5 1.0 N A:VAL7 4.8 16.2 1.0 CD A:LYS5 4.9 31.8 1.0 CA A:ASP54 4.9 20.1 1.0 CA A:GLY75 5.0 19.2 1.0

C.E.Quevedo, A.Cruz-Migoni, N.Bery, A.Miller, T.Tanaka, D.Petch, C.J.R.Bataille, L.Y.W.Lee, P.S.Fallon, H.Tulmin, M.T.Ehebauer, N.Fernandez-Fuentes, A.J.Russell, S.B.Carr, S.E.V.Phillips, T.H.Rabbitts. Small Molecule Inhibitors of Ras-Effector Protein Interactions Derived Using An Intracellular Antibody Fragment. Nat Commun V. 9 3169 2018.
ISSN: ESSN 2041-1723
PubMed: 30093669
DOI: 10.1038/S41467-018-05707-2