Magnesium in PDB 8fmk: Crystal Structure of Human Kras with Extended Switch I Loop

All present enzymatic activity of Crystal Structure of Human Kras with Extended Switch I Loop:
3.6.5.2;

The structure of Crystal Structure of Human Kras with Extended Switch I Loop, PDB code: 8fmk was solved by R.Brenner, A.Landgraf, G.Gonzalez-Gutierrez, K.Bum-Erdene, S.O.Meroueh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.12 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.643, 47.653, 90.101, 90, 90, 90
R / Rfree (%)	19.8 / 23.7

The structure of Crystal Structure of Human Kras with Extended Switch I Loop also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human Kras with Extended Switch I Loop (pdb code 8fmk). 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 Human Kras with Extended Switch I Loop, PDB code: 8fmk:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human Kras with Extended Switch I Loop


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 Human Kras with Extended Switch I Loop within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:17.9 occ:1.00 OG A:SER17 2.0 23.9 1.0 O2B A:GDP201 2.0 15.8 1.0 O A:HOH365 2.1 18.4 1.0 O A:HOH330 2.1 18.3 1.0 O A:HOH325 2.1 18.8 1.0 O A:HOH388 2.1 18.7 1.0 HB2 A:SER17 3.1 23.7 1.0 CB A:SER17 3.1 19.7 1.0 H A:SER17 3.2 16.8 1.0 PB A:GDP201 3.2 15.0 1.0 O3B A:GDP201 3.5 16.5 1.0 HB3 A:SER17 3.8 23.7 1.0 N A:SER17 3.8 14.0 1.0 HB2 A:LYS16 3.9 18.7 1.0 HG2 A:PRO34 3.9 65.7 1.0 HE2 A:LYS16 3.9 28.9 1.0 OD2 A:ASP57 4.0 22.6 1.0 CA A:SER17 4.0 16.8 1.0 OD1 A:ASP57 4.1 19.8 1.0 O2A A:GDP201 4.1 18.0 1.0 O A:HOH457 4.1 33.0 1.0 H A:THR35 4.2 66.6 1.0 O3A A:GDP201 4.3 17.4 1.0 HA A:SER17 4.3 20.2 1.0 O1B A:GDP201 4.3 15.6 1.0 HZ1 A:LYS16 4.3 28.3 1.0 CG A:ASP57 4.4 21.1 1.0 PA A:GDP201 4.5 17.9 1.0 HA A:THR35 4.5 83.5 1.0 O A:THR58 4.5 21.3 1.0 O1A A:GDP201 4.7 18.1 1.0 HA A:ALA59 4.7 33.0 1.0 CG A:PRO34 4.8 54.7 1.0 HG3 A:PRO34 4.8 65.7 1.0 CE A:LYS16 4.8 24.0 1.0 CB A:LYS16 4.8 15.6 1.0 C A:LYS16 4.9 13.7 1.0 NZ A:LYS16 4.9 23.6 1.0 N A:THR35 5.0 55.5 1.0

R.J.Brenner, A.D.Landgraf, K.Bum-Erdene, G.Gonzalez-Gutierrez, S.O.Meroueh. Crystal Packing Reveals A Potential Autoinhibited Kras Dimer Interface and A Strategy For Small-Molecule Inhibition of Ras Signaling. Biochemistry 2023.
ISSN: ISSN 0006-2960
PubMed: 37938120
DOI: 10.1021/ACS.BIOCHEM.3C00378