Fluorine in PDB 5wfp: Ligand-Bound Ras:Sos:Ras Complex

The structure of Ligand-Bound Ras:Sos:Ras Complex, PDB code: 5wfp was solved by Q.Sun, J.Phan, M.C.Burns, S.W.Fesik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.68 / 2.08
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	182.530, 182.530, 177.314, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20.4

The structure of Ligand-Bound Ras:Sos:Ras Complex also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Ligand-Bound Ras:Sos:Ras Complex (pdb code 5wfp). 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 Ligand-Bound Ras:Sos:Ras Complex, PDB code: 5wfp:

Fluorine binding site 1 out of 1 in the Ligand-Bound Ras:Sos:Ras Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ligand-Bound Ras:Sos:Ras Complex within 5.0Å range: probe atom residue distance (Å) B Occ N:F1101 b:33.9 occ:1.00 F04 N:5UX1101 0.0 33.9 1.0 C03 N:5UX1101 1.3 26.2 1.0 C02 N:5UX1101 2.3 27.7 1.0 C05 N:5UX1101 2.3 27.5 1.0 CL01 N:5UX1101 2.8 38.1 1.0 CG1 N:VAL852 3.5 16.0 1.0 C24 N:5UX1101 3.5 30.1 1.0 CG2 N:THR889 3.5 19.6 1.0 C06 N:5UX1101 3.5 25.2 1.0 N N:PHE890 3.6 22.7 1.0 CA N:PHE890 3.7 27.6 1.0 CE N:MET878 3.7 25.1 1.0 CB N:THR889 3.9 23.7 1.0 C N:THR889 3.9 24.0 1.0 CG2 N:VAL852 3.9 17.1 1.0 CG1 N:ILE893 3.9 22.9 1.0 C07 N:5UX1101 4.0 26.3 1.0 CB N:VAL852 4.2 18.1 1.0 CB N:PHE890 4.2 30.5 1.0 O N:THR889 4.3 26.6 1.0 CA N:THR889 4.6 22.0 1.0 CD1 N:ILE893 4.7 23.4 1.0 O N:LEU886 4.7 21.5 1.0

M.C.Burns, J.E.Howes, Q.Sun, A.J.Little, D.V.Camper, J.R.Abbott, J.Phan, T.Lee, A.G.Waterson, O.W.Rossanese, S.W.Fesik. High-Throughput Screening Identifies Small Molecules That Bind to the Ras:Sos:Ras Complex and Perturb Ras Signaling. Anal. Biochem. V. 548 44 2018.
ISSN: ISSN 1096-0309
PubMed: 29444450
DOI: 10.1016/J.AB.2018.01.025