Magnesium in PDB 8wb1: Crystal Structure of Small Molecule KN2H Covalently Bound to K- Ras(G12D)

The structure of Crystal Structure of Small Molecule KN2H Covalently Bound to K- Ras(G12D), PDB code: 8wb1 was solved by L.Zhou, R.Zhang, T.B.Shuai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.98 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.099, 51.955, 90.475, 90, 90, 90
R / Rfree (%)	19.2 / 21.2

The structure of Crystal Structure of Small Molecule KN2H Covalently Bound to K- Ras(G12D) also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Small Molecule KN2H Covalently Bound to K- Ras(G12D) (pdb code 8wb1). 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 KN2H Covalently Bound to K- Ras(G12D), PDB code: 8wb1:

Magnesium binding site 1 out of 1 in the Crystal Structure of Small Molecule KN2H Covalently Bound to K- Ras(G12D)


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 KN2H Covalently Bound to K- Ras(G12D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:22.4 occ:1.00 O3B A:GDP201 2.0 22.3 1.0 O A:HOH332 2.1 21.7 1.0 O A:HOH377 2.1 24.8 1.0 O A:HOH322 2.1 24.4 1.0 O A:HOH311 2.1 24.0 1.0 OG A:SER17 2.2 21.9 1.0 CB A:SER17 3.2 24.4 1.0 PB A:GDP201 3.3 22.9 1.0 O1B A:GDP201 3.5 23.2 1.0 N A:SER17 4.0 22.1 1.0 O1A A:GDP201 4.1 25.1 1.0 OD2 A:ASP57 4.1 23.2 1.0 CA A:SER17 4.2 24.2 1.0 OD1 A:ASP57 4.2 24.6 1.0 CD1 A:TYR32 4.2 30.1 1.0 O2B A:GDP201 4.3 24.4 1.0 O3A A:GDP201 4.4 23.8 1.0 O A:HOH312 4.5 29.7 1.0 PA A:GDP201 4.6 24.8 1.0 O A:THR58 4.6 23.8 1.0 CG A:ASP57 4.6 25.2 1.0 O A:ASP33 4.6 29.5 1.0 O A:HOH343 4.6 28.8 1.0 CE1 A:TYR32 4.6 30.6 1.0 O2A A:GDP201 4.7 24.3 1.0 O A:ILE36 4.8 23.1 1.0 O A:TYR32 4.8 30.7 1.0 CB A:ALA59 4.8 24.4 1.0 O A:HOH321 4.9 29.6 1.0 CG A:TYR32 5.0 34.8 1.0

L.Zhou, R.Zhang, T.B.Shuai. Crystal Structure of Small Molecule KN2H Covalently Bound to K-Ras(G12D) To Be Published.