Magnesium 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
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Ligand-Bound Ras:Sos:Ras Complex (pdb code 5wfp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Ligand-Bound Ras:Sos:Ras Complex, PDB code: 5wfp:

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ligand-Bound Ras:Sos:Ras Complex within 5.0Å range: probe atom residue distance (Å) B Occ Q:Mg201 b:14.3 occ:1.00 O1G Q:GNP202 1.9 16.8 1.0 O1B Q:GNP202 2.0 16.0 1.0 O Q:HOH311 2.1 15.2 1.0 O Q:HOH316 2.1 17.4 1.0 OG1 Q:THR35 2.1 19.8 1.0 OG Q:SER17 2.1 17.9 1.0 CB Q:THR35 3.1 19.3 1.0 PG Q:GNP202 3.1 19.5 1.0 PB Q:GNP202 3.2 16.3 1.0 CB Q:SER17 3.2 15.5 1.0 N3B Q:GNP202 3.3 17.2 1.0 N Q:THR35 3.8 17.3 1.0 N Q:SER17 3.9 14.6 1.0 O Q:HOH337 4.0 28.6 1.0 O3G Q:GNP202 4.0 16.4 1.0 CA Q:THR35 4.1 17.9 1.0 O2A Q:GNP202 4.1 19.7 1.0 OD2 Q:ASP57 4.1 21.3 1.0 CA Q:SER17 4.1 16.6 1.0 O2B Q:GNP202 4.2 17.2 1.0 OD1 Q:ASP57 4.2 18.3 1.0 O3A Q:GNP202 4.2 18.6 1.0 CG2 Q:THR35 4.3 18.1 1.0 O2G Q:GNP202 4.3 19.1 1.0 O Q:ASP33 4.3 21.1 1.0 O Q:THR58 4.3 19.8 1.0 PA Q:GNP202 4.5 19.7 1.0 CG Q:ASP57 4.5 17.1 1.0 O1A Q:GNP202 4.6 16.7 1.0 C Q:PRO34 4.8 20.6 1.0 CB Q:LYS16 4.8 14.2 1.0 C Q:LYS16 4.9 19.5 1.0 CE Q:LYS16 5.0 16.2 1.0 CA Q:PRO34 5.0 19.9 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