Magnesium in PDB 6xl4: Egfr(T790M/V948R) in Complex with AZD9291 and DDC4002

All present enzymatic activity of Egfr(T790M/V948R) in Complex with AZD9291 and DDC4002:
2.7.10.1;

The structure of Egfr(T790M/V948R) in Complex with AZD9291 and DDC4002, PDB code: 6xl4 was solved by D.E.Heppner, T.S.Beyett, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.84 / 2.06
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.542, 101.707, 86.972, 90, 102.72, 90
R / Rfree (%)	21.5 / 25.2

The structure of Egfr(T790M/V948R) in Complex with AZD9291 and DDC4002 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Egfr(T790M/V948R) in Complex with AZD9291 and DDC4002 (pdb code 6xl4). 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 Egfr(T790M/V948R) in Complex with AZD9291 and DDC4002, PDB code: 6xl4:

Magnesium binding site 1 out of 1 in the Egfr(T790M/V948R) in Complex with AZD9291 and DDC4002


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Egfr(T790M/V948R) in Complex with AZD9291 and DDC4002 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1101 b:36.7 occ:1.00 O2A D:ANP1102 1.9 35.1 1.0 OD2 D:ASP855 2.0 47.5 1.0 OD1 D:ASN842 2.0 40.1 1.0 O1B D:ANP1102 2.1 38.4 1.0 O1G D:ANP1102 2.1 47.2 1.0 O D:HOH1237 2.2 32.6 1.0 CG D:ASP855 3.1 42.5 1.0 CG D:ASN842 3.1 35.8 1.0 PA D:ANP1102 3.3 39.2 1.0 PB D:ANP1102 3.3 38.8 1.0 O D:HOH1204 3.4 49.5 1.0 PG D:ANP1102 3.5 42.4 1.0 O3A D:ANP1102 3.7 38.8 1.0 ND2 D:ASN842 3.8 36.9 1.0 N3B D:ANP1102 3.9 43.1 1.0 CB D:ASP855 3.9 34.4 1.0 OD1 D:ASP855 3.9 41.9 1.0 O5' D:ANP1102 3.9 33.3 1.0 CB D:ASN842 4.3 28.4 1.0 O3G D:ANP1102 4.4 43.9 1.0 CA D:ASN842 4.4 30.7 1.0 O1A D:ANP1102 4.4 38.5 1.0 O D:ARG841 4.5 23.3 1.0 O2G D:ANP1102 4.5 45.4 1.0 O2B D:ANP1102 4.6 34.2 1.0 NZ D:LYS745 4.7 50.9 1.0 CG2 D:THR854 4.8 29.9 1.0 C D:ARG841 4.9 30.8 1.0 N D:ASN842 4.9 27.7 1.0 O D:HOH1221 5.0 42.7 1.0

T.S.Beyett, D.E.Heppner, M.J.Eck. Egfr(T790M/V948R) in Complex with AZD9291 and DDC4002 To Be Published.