Magnesium in PDB 4m1w: Crystal Structure of Small Molecule Vinylsulfonamide Covalently Bound to K-Ras G12C

The structure of Crystal Structure of Small Molecule Vinylsulfonamide Covalently Bound to K-Ras G12C, PDB code: 4m1w was solved by J.M.Ostrem, U.Peters, M.L.Sos, J.A.Wells, K.M.Shokat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.94 / 1.58
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.095, 83.817, 87.238, 90.00, 111.06, 90.00
R / Rfree (%)	16.9 / 19

The structure of Crystal Structure of Small Molecule Vinylsulfonamide Covalently Bound to K-Ras G12C also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Magnesium atom in the Crystal Structure of Small Molecule Vinylsulfonamide Covalently Bound to K-Ras G12C (pdb code 4m1w). 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 Crystal Structure of Small Molecule Vinylsulfonamide Covalently Bound to K-Ras G12C, PDB code: 4m1w:

Magnesium binding site 1 out of 1 in the Crystal Structure of Small Molecule Vinylsulfonamide Covalently Bound to K-Ras G12C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Small Molecule Vinylsulfonamide Covalently Bound to K-Ras G12C within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:36.4 occ:1.00 O A:HOH417 1.9 31.1 1.0 O A:HOH337 2.1 30.7 1.0 OG A:SER17 2.2 31.3 1.0 O2B A:GDP203 2.3 19.4 1.0 O A:HOH418 2.8 46.6 1.0 HB2 A:SER17 3.2 27.0 1.0 CB A:SER17 3.3 22.5 1.0 H A:SER17 3.4 21.5 1.0 PB A:GDP203 3.5 18.6 1.0 O1B A:GDP203 3.6 19.0 1.0 O A:HOH362 3.8 34.5 1.0 HB3 A:SER17 3.9 27.0 1.0 N A:SER17 4.0 17.9 1.0 HB2 A:LYS16 4.1 21.6 1.0 HB3 A:ASP57 4.2 37.3 1.0 CA A:SER17 4.2 19.5 1.0 HE2 A:LYS16 4.3 28.9 1.0 O1A A:GDP203 4.4 25.9 1.0 HB2 A:ASP57 4.4 37.3 1.0 HA A:SER17 4.5 23.4 1.0 O3B A:GDP203 4.5 17.2 1.0 O3A A:GDP203 4.5 18.4 1.0 OD1 A:ASP38 4.7 87.3 1.0 HZ3 A:LYS16 4.7 24.5 1.0 CB A:ASP57 4.8 31.1 1.0 PA A:GDP203 4.8 21.2 1.0 O2A A:GDP203 4.8 22.0 1.0 HZ2 A:LYS16 4.9 24.5 1.0 O A:HOH345 5.0 31.0 1.0

J.M.Ostrem, U.Peters, M.L.Sos, J.A.Wells, K.M.Shokat. K-Ras(G12C) Inhibitors Allosterically Control Gtp Affinity and Effector Interactions. Nature V. 503 548 2013.
ISSN: ISSN 0028-0836
PubMed: 24256730
DOI: 10.1038/NATURE12796