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

The structure of Ligand-Bound Ras:Sos:Ras Complex, PDB code: 5wfo 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)	48.46 / 1.99
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	182.735, 182.735, 177.866, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 18.8

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

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

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

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:30.4 occ:1.00 F15 N:5UU1101 0.0 30.4 1.0 C13 N:5UU1101 1.3 28.7 1.0 C19 N:5UU1101 2.3 27.5 1.0 C20 N:5UU1101 2.4 27.6 1.0 ND2 N:ASN879 3.2 26.5 1.0 CG1 N:VAL875 3.4 20.7 1.0 CB N:HIS905 3.4 25.3 1.0 ND1 N:HIS905 3.6 33.4 1.0 C17 N:5UU1101 3.6 30.2 1.0 C18 N:5UU1101 3.6 29.1 1.0 CG N:HIS905 3.8 27.1 1.0 O N:VAL875 3.8 16.0 1.0 CD1 N:LEU901 3.8 23.7 1.0 CG N:ASN879 3.9 27.9 1.0 CA N:VAL875 4.0 15.8 1.0 CB N:VAL875 4.0 15.4 1.0 C10 N:5UU1101 4.1 33.8 1.0 CG2 N:VAL875 4.1 20.6 1.0 OD1 N:ASN879 4.1 33.0 1.0 CA N:HIS905 4.2 22.2 1.0 CG N:LEU901 4.2 22.2 1.0 CB N:MET878 4.3 15.8 1.0 O N:LEU901 4.3 19.1 1.0 C N:VAL875 4.3 18.5 1.0 N N:HIS905 4.6 20.8 1.0 CE1 N:HIS905 4.7 39.1 1.0 N N:ASN879 4.8 15.5 1.0 CD2 N:LEU901 4.8 20.6 1.0 CB N:ASN879 4.9 18.5 1.0 CD2 N:HIS905 5.0 33.7 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