Chlorine 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:

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

The binding sites of Chlorine atom in the Ligand-Bound Ras:Sos:Ras Complex (pdb code 5wfp). 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: 5wfp:
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:38.1 occ:1.00 CL01 N:5UX1101 0.0 38.1 1.0 C02 N:5UX1101 1.7 27.7 1.0 C03 N:5UX1101 2.6 26.2 1.0 C24 N:5UX1101 2.7 30.1 1.0 F04 N:5UX1101 2.8 33.9 1.0 CE N:MET878 3.6 25.1 1.0 CD2 N:LEU901 3.8 20.5 1.0 C05 N:5UX1101 3.9 27.5 1.0 CD1 N:PHE890 3.9 36.8 1.0 C07 N:5UX1101 3.9 26.3 1.0 CG1 N:ILE893 4.0 22.9 1.0 CG1 N:VAL852 4.1 16.0 1.0 CA N:PHE890 4.3 27.6 1.0 CD1 N:ILE856 4.4 21.6 1.0 C06 N:5UX1101 4.4 25.2 1.0 CB N:ILE893 4.5 24.8 1.0 CB N:PHE890 4.6 30.5 1.0 CG2 N:ILE893 4.6 21.9 1.0 CG N:PHE890 4.7 39.2 1.0 CE1 N:PHE890 4.8 38.0 1.0 C22 N:5UX1101 5.0 29.0 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:48.8 occ:1.00 CL20 N:5UX1101 0.0 48.8 1.0 C19 N:5UX1101 1.7 33.6 1.0 C21 N:5UX1101 2.7 27.2 1.0 C18 N:5UX1101 2.7 35.8 1.0 CB N:HIS905 3.3 25.1 1.0 ND2 N:ASN879 3.4 30.6 1.0 CG N:HIS905 3.5 28.2 1.0 CG N:LEU901 3.8 22.7 1.0 C22 N:5UX1101 3.9 29.0 1.0 C17 N:5UX1101 4.0 35.8 1.0 OD1 N:ASN879 4.0 27.9 1.0 CD1 N:LEU901 4.0 21.4 1.0 CG N:ASN879 4.0 26.6 1.0 O N:LEU901 4.1 21.0 1.0 ND1 N:HIS905 4.1 36.9 1.0 CD2 N:HIS905 4.1 33.8 1.0 O N:HOH1425 4.2 40.4 1.0 CD2 N:LEU901 4.3 20.5 1.0 C23 N:5UX1101 4.4 31.9 1.0 OE1 N:GLU902 4.5 53.6 1.0 C N:LEU901 4.5 25.2 1.0 CA N:HIS905 4.6 23.2 1.0 CA N:GLU902 4.7 26.3 1.0 CG1 N:VAL875 4.8 20.4 1.0 CE1 N:HIS905 4.8 37.3 1.0 N N:GLU902 4.9 24.3 1.0 NE2 N:HIS905 4.9 42.5 1.0 CB N:LEU901 5.0 21.0 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