Chlorine 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:

Fluorine	(F)	1 atom
Magnesium	(Mg)	1 atom

The binding sites of Chlorine atom in the Ligand-Bound Ras:Sos:Ras Complex (pdb code 5wfq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ligand-Bound Ras:Sos:Ras Complex, PDB code: 5wfq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ligand-Bound Ras:Sos:Ras Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ligand-Bound Ras:Sos:Ras Complex within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl1101 b:52.3 occ:1.00 CL16 N:5UV1101 0.0 52.3 1.0 C08 N:5UV1101 1.7 38.8 1.0 C12 N:5UV1101 2.7 36.0 1.0 C09 N:5UV1101 2.7 45.8 1.0 F18 N:5UV1101 2.9 42.1 1.0 CD2 N:LEU901 3.7 23.6 1.0 CG1 N:ILE893 3.9 25.3 1.0 CD1 N:PHE890 3.9 46.0 1.0 C14 N:5UV1101 4.0 32.5 1.0 C10 N:5UV1101 4.0 42.6 1.0 CA N:PHE890 4.1 29.3 1.0 CB N:PHE890 4.2 35.0 1.0 CG1 N:VAL852 4.2 16.6 1.0 CD1 N:ILE856 4.3 20.3 1.0 CB N:ILE893 4.3 24.9 1.0 CG2 N:ILE893 4.4 19.2 1.0 C17 N:5UV1101 4.5 37.8 1.0 CG N:PHE890 4.6 48.3 1.0 O N:HOH1478 4.7 41.1 1.0 CE1 N:PHE890 4.9 46.0 1.0 O N:PHE890 4.9 27.1 1.0 N N:PHE890 5.0 26.4 1.0

Chlorine binding site 2 out of 2 in the Ligand-Bound Ras:Sos:Ras Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ligand-Bound Ras:Sos:Ras Complex within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl1101 b:53.8 occ:1.00 CL20 N:5UV1101 0.0 53.8 1.0 C15 N:5UV1101 1.7 46.8 1.0 C19 N:5UV1101 2.7 46.6 1.0 C11 N:5UV1101 2.7 38.7 1.0 OD1 N:ASN879 2.9 43.7 1.0 CG N:ASN879 3.5 31.4 1.0 CB N:MET878 3.5 16.9 1.0 CG N:LEU901 3.7 23.6 1.0 CD2 N:LEU901 3.8 23.6 1.0 CD1 N:LEU901 3.9 26.2 1.0 ND2 N:ASN879 4.0 33.4 1.0 C02 N:5UV1101 4.0 46.4 1.0 C13 N:5UV1101 4.0 52.9 1.0 C N:MET878 4.1 18.6 1.0 N N:ASN879 4.2 19.7 1.0 O N:VAL875 4.2 19.5 1.0 O N:MET878 4.3 21.0 1.0 CB N:HIS905 4.4 23.2 1.0 ND1 N:HIS905 4.4 38.0 1.0 CA N:MET878 4.4 17.7 1.0 C06 N:5UV1101 4.5 48.4 1.0 CB N:ASN879 4.5 23.9 1.0 CG N:HIS905 4.6 28.4 1.0 CA N:ASN879 4.6 20.2 1.0 CG N:MET878 4.7 15.1 1.0 CG1 N:VAL875 4.8 18.8 1.0 O N:LEU901 4.9 25.4 1.0 CA N:VAL875 4.9 18.3 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