Magnesium in PDB 4nyi: Approach For Targeting Ras with Small Molecules That Activate Sos- Mediated Nucleotide Exchange

The structure of Approach For Targeting Ras with Small Molecules That Activate Sos- Mediated Nucleotide Exchange, PDB code: 4nyi was solved by M.C.Burns, Q.Sun, J.Phan, S.W.Fesik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.95 / 2.96
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	183.285, 183.285, 177.860, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.8

The binding sites of Magnesium atom in the Approach For Targeting Ras with Small Molecules That Activate Sos- Mediated Nucleotide Exchange (pdb code 4nyi). 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 Approach For Targeting Ras with Small Molecules That Activate Sos- Mediated Nucleotide Exchange, PDB code: 4nyi:

Magnesium binding site 1 out of 1 in the Approach For Targeting Ras with Small Molecules That Activate Sos- Mediated Nucleotide Exchange


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Approach For Targeting Ras with Small Molecules That Activate Sos- Mediated Nucleotide Exchange within 5.0Å range: probe atom residue distance (Å) B Occ Q:Mg201 b:16.7 occ:1.00 O Q:HOH301 2.0 17.1 1.0 O1G Q:GNP202 2.0 25.6 1.0 O1B Q:GNP202 2.0 15.8 1.0 OG Q:SER17 2.0 17.9 1.0 O Q:HOH303 2.1 19.5 1.0 OG1 Q:THR35 2.1 22.5 1.0 CB Q:SER17 3.0 14.6 1.0 CB Q:THR35 3.2 21.9 1.0 PG Q:GNP202 3.2 28.5 1.0 PB Q:GNP202 3.2 19.6 1.0 N3B Q:GNP202 3.4 25.6 1.0 N Q:SER17 3.8 21.5 1.0 N Q:THR35 3.8 22.4 1.0 O2A Q:GNP202 4.0 18.9 1.0 CA Q:SER17 4.0 16.6 1.0 O3G Q:GNP202 4.1 15.0 1.0 CA Q:THR35 4.1 21.2 1.0 O Q:ASP33 4.2 28.9 1.0 OD2 Q:ASP57 4.2 22.5 1.0 O3A Q:GNP202 4.2 18.7 1.0 CG2 Q:THR35 4.3 21.3 1.0 O2B Q:GNP202 4.3 19.9 1.0 OD1 Q:ASP57 4.3 20.3 1.0 PA Q:GNP202 4.4 19.2 1.0 O1A Q:GNP202 4.4 21.1 1.0 O2G Q:GNP202 4.4 22.5 1.0 O Q:THR58 4.4 28.2 1.0 CG Q:ASP57 4.6 20.6 1.0 C Q:PRO34 4.8 26.8 1.0 C Q:LYS16 4.9 23.5 1.0 NZ Q:LYS16 4.9 16.4 1.0 CB Q:LYS16 5.0 12.2 1.0

M.C.Burns, Q.Sun, R.N.Daniels, D.Camper, J.P.Kennedy, J.Phan, E.T.Olejniczak, T.Lee, A.G.Waterson, O.W.Rossanese, S.W.Fesik. Approach For Targeting Ras with Small Molecules That Activate Sos-Mediated Nucleotide Exchange. Proc.Natl.Acad.Sci.Usa V. 111 3401 2014.
ISSN: ISSN 0027-8424
PubMed: 24550516
DOI: 10.1073/PNAS.1315798111