Magnesium in PDB 8azv: Kras in Complex with Bi-2865

All present enzymatic activity of Kras in Complex with Bi-2865:
3.6.5.2;

The structure of Kras in Complex with Bi-2865, PDB code: 8azv was solved by J.Boettcher, L.Herdeis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.26 / 1.05
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.47, 40.632, 56.17, 90, 90, 90
R / Rfree (%)	15.5 / 17.4

The binding sites of Magnesium atom in the Kras in Complex with Bi-2865 (pdb code 8azv). 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 Kras in Complex with Bi-2865, PDB code: 8azv:

Magnesium binding site 1 out of 1 in the Kras in Complex with Bi-2865


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Kras in Complex with Bi-2865 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:9.9 occ:1.00 O A:HOH334 2.1 11.0 1.0 O2B A:GDP201 2.1 9.8 1.0 OG A:SER17 2.1 10.0 1.0 O A:HOH351 2.1 10.6 1.0 O A:HOH325 2.1 10.5 1.0 O A:HOH376 2.1 10.4 1.0 HB2 A:SER17 3.1 10.9 1.0 CB A:SER17 3.1 9.1 1.0 PB A:GDP201 3.3 10.3 1.0 H A:SER17 3.4 11.3 1.0 HA A:PRO34 3.4 15.5 0.5 HA A:PRO34 3.5 15.4 0.6 O3B A:GDP201 3.6 11.6 1.0 HB3 A:SER17 3.8 10.9 1.0 HD2 A:TYR32 3.9 16.0 1.0 HB2 A:ALA59 3.9 16.2 1.0 N A:SER17 3.9 9.4 1.0 HB2 A:LYS16 4.1 12.6 1.0 CA A:SER17 4.1 9.5 1.0 OD2 A:ASP57 4.1 11.6 1.0 O1A A:GDP201 4.1 11.7 1.0 O A:PRO34 4.1 11.9 0.6 OD1 A:ASP57 4.2 11.5 1.0 O3A A:GDP201 4.3 10.8 1.0 CA A:PRO34 4.3 12.9 0.5 HE2 A:LYS16 4.3 15.4 1.0 HA A:SER17 4.4 11.4 1.0 O1B A:GDP201 4.4 10.3 1.0 O A:ASP33 4.4 11.7 1.0 CA A:PRO34 4.4 12.8 0.6 O A:PRO34 4.5 12.5 0.5 O A:ILE36 4.5 12.6 1.0 PA A:GDP201 4.6 10.8 1.0 CG A:ASP57 4.6 11.2 1.0 HB3 A:TYR32 4.6 14.2 1.0 C A:PRO34 4.6 12.3 0.6 O A:THR58 4.6 11.4 1.0 HB1 A:ALA59 4.6 16.2 1.0 C A:PRO34 4.7 12.7 0.5 O2A A:GDP201 4.7 12.1 1.0 CB A:ALA59 4.7 13.5 1.0 O A:TYR32 4.8 12.2 1.0 CD2 A:TYR32 4.8 13.3 1.0 HZ3 A:LYS16 4.8 13.9 1.0 HB3 A:PRO34 4.9 16.6 0.5 HZ1 A:LYS16 5.0 13.9 1.0 CB A:LYS16 5.0 10.5 1.0

D.Kim, L.Herdeis, D.Rudolph, Y.Zhao, J.Bottcher, A.Vides, C.I.Ayala-Santos, Y.Pourfarjam, A.Cuevas-Navarro, J.Y.Xue, A.Mantoulidis, J.Broker, T.Wunberg, O.Schaaf, J.Popow, B.Wolkerstorfer, K.G.Kropatsch, R.Qu, E.De Stanchina, B.Sang, C.Li, D.B.Mcconnell, N.Kraut, P.Lito. Pan-Kras Inhibitor Disables Oncogenic Signalling and Tumour Growth. Nature 2023.
ISSN: ESSN 1476-4687
PubMed: 37258666
DOI: 10.1038/S41586-023-06123-3