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

The structure of Ligand-Bound Ras:Sos:Ras Complex, PDB code: 5wfq 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)	48.41 / 2.26
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	182.680, 182.680, 177.370, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 19.6

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 5wfq). 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: 5wfq:

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:42.1 occ:1.00 F18 N:5UV1101 0.0 42.1 1.0 C12 N:5UV1101 1.3 36.0 1.0 C08 N:5UV1101 2.3 38.8 1.0 C14 N:5UV1101 2.4 32.5 1.0 CL16 N:5UV1101 2.9 52.3 1.0 N N:PHE890 3.3 26.4 1.0 CA N:PHE890 3.4 29.3 1.0 CG1 N:VAL852 3.5 16.6 1.0 C17 N:5UV1101 3.6 37.8 1.0 C09 N:5UV1101 3.6 45.8 1.0 CG2 N:THR889 3.7 19.2 1.0 C N:THR889 3.8 23.9 1.0 CB N:PHE890 3.8 35.0 1.0 CG1 N:ILE893 3.9 25.3 1.0 CB N:THR889 4.0 24.4 1.0 CG2 N:VAL852 4.1 16.9 1.0 C10 N:5UV1101 4.1 42.6 1.0 O N:THR889 4.2 26.3 1.0 CB N:VAL852 4.3 15.9 1.0 CA N:THR889 4.5 23.8 1.0 O N:LEU886 4.6 20.2 1.0 CD1 N:ILE893 4.7 22.0 1.0 C N:PHE890 4.8 29.6 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