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Magnesium in PDB 8azx: Kras-G12C in Complex with Bi-2865

Enzymatic activity of Kras-G12C in Complex with Bi-2865

All present enzymatic activity of Kras-G12C in Complex with Bi-2865:
3.6.5.2;

Protein crystallography data

The structure of Kras-G12C in Complex with Bi-2865, PDB code: 8azx 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) 36.79 / 1.04
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 86.505, 40.645, 56.018, 90, 90, 90
R / Rfree (%) 16.1 / 19.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Kras-G12C in Complex with Bi-2865 (pdb code 8azx). 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-G12C in Complex with Bi-2865, PDB code: 8azx:

Magnesium binding site 1 out of 1 in 8azx

Go back to Magnesium Binding Sites List in 8azx
Magnesium binding site 1 out of 1 in the Kras-G12C 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-G12C in Complex with Bi-2865 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg202

b:9.2
occ:1.00
O A:HOH334 2.1 9.7 1.0
O2B A:GDP201 2.1 8.5 1.0
OG A:SER17 2.1 8.1 1.0
O A:HOH345 2.1 9.1 1.0
O A:HOH353 2.1 9.9 1.0
O A:HOH372 2.1 9.3 1.0
HB2 A:SER17 3.1 10.1 1.0
CB A:SER17 3.2 8.3 1.0
PB A:GDP201 3.3 9.1 1.0
H A:SER17 3.3 10.7 1.0
HA A:PRO34 3.5 15.9 0.5
HA A:PRO34 3.5 15.2 0.5
O3B A:GDP201 3.5 10.1 1.0
HB3 A:SER17 3.8 10.1 1.0
HD2 A:TYR32 3.9 14.8 1.0
N A:SER17 3.9 8.8 1.0
HB2 A:ALA59 3.9 15.2 1.0
HB2 A:LYS16 4.0 10.6 1.0
CA A:SER17 4.1 7.7 1.0
OD2 A:ASP57 4.1 11.7 1.0
O1A A:GDP201 4.1 9.5 1.0
O A:PRO34 4.2 12.2 0.5
OD1 A:ASP57 4.2 11.0 1.0
HE2 A:LYS16 4.2 13.2 1.0
O3A A:GDP201 4.3 9.4 1.0
CA A:PRO34 4.4 13.2 0.5
O1B A:GDP201 4.4 9.3 1.0
HA A:SER17 4.4 9.4 1.0
O A:PRO34 4.4 12.9 0.5
O A:ASP33 4.4 10.7 1.0
CA A:PRO34 4.4 12.6 0.5
O A:ILE36 4.5 11.6 1.0
CG A:ASP57 4.5 10.3 1.0
PA A:GDP201 4.6 9.4 1.0
HB1 A:ALA59 4.6 15.2 1.0
O A:THR58 4.6 10.6 1.0
HB3 A:TYR32 4.6 13.6 1.0
C A:PRO34 4.6 12.7 0.5
C A:PRO34 4.7 13.0 0.5
CB A:ALA59 4.7 12.5 1.0
O2A A:GDP201 4.7 9.8 1.0
O A:TYR32 4.7 12.1 1.0
HZ3 A:LYS16 4.7 13.8 1.0
CD2 A:TYR32 4.8 12.2 1.0
HZ1 A:LYS16 4.9 13.8 1.0
CB A:LYS16 4.9 8.8 1.0
O A:HOH354 5.0 15.4 1.0
C A:LYS16 5.0 9.0 1.0

Reference:

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
Page generated: Thu Oct 3 19:07:00 2024

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