Magnesium in PDB 7jxk: Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02

All present enzymatic activity of Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02:
2.7.10.1;

The structure of Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02, PDB code: 7jxk was solved by 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)	80.48 / 3.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	66.853, 87.369, 91.313, 62.06, 85.58, 73.33
R / Rfree (%)	22.2 / 26.1

The structure of Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02 also contains other interesting chemical elements:

Fluorine

(F)

9 atoms

The binding sites of Magnesium atom in the Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02 (pdb code 7jxk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02, PDB code: 7jxk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1102 b:57.6 occ:1.00 OD2 D:ASP855 1.9 56.6 1.0 O2G D:ANP1101 2.1 79.5 1.0 O1B D:ANP1101 2.1 73.2 1.0 OD1 D:ASN842 2.2 46.4 1.0 O2A D:ANP1101 2.2 56.5 1.0 CG D:ASP855 3.0 56.7 1.0 CG D:ASN842 3.3 44.6 1.0 PB D:ANP1101 3.4 80.6 1.0 PA D:ANP1101 3.5 62.5 1.0 PG D:ANP1101 3.6 86.1 1.0 CB D:ASP855 3.8 53.5 1.0 ND2 D:ASN842 4.0 54.0 1.0 O3A D:ANP1101 4.0 74.2 1.0 OD1 D:ASP855 4.0 61.7 1.0 NZ D:LYS745 4.0 57.5 1.0 N3B D:ANP1101 4.1 74.5 1.0 O5' D:ANP1101 4.2 69.0 1.0 O1G D:ANP1101 4.3 75.2 1.0 CB D:ASN842 4.5 37.9 1.0 O D:ARG841 4.5 44.0 1.0 CG2 D:THR854 4.5 41.9 1.0 C2' D:ANP1101 4.6 51.4 1.0 O2B D:ANP1101 4.6 64.7 1.0 CA D:ASN842 4.6 37.1 1.0 O3G D:ANP1101 4.6 69.3 1.0 O1A D:ANP1101 4.7 62.9 1.0 C8 D:ANP1101 4.8 63.6 1.0 O2' D:ANP1101 5.0 47.5 1.0

Magnesium binding site 2 out of 2 in the Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Egfr Kinase (T790M/V948R) in Complex with Pf-06747775 and Jbj-04-125- 02 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1102 b:83.3 occ:1.00 OD1 B:ASN842 1.9 67.6 1.0 O1B B:ANP1101 2.0 87.4 1.0 O2A B:ANP1101 2.1 92.3 1.0 O2G B:ANP1101 2.2 93.1 1.0 OD2 B:ASP855 2.5 86.5 1.0 CG B:ASN842 3.1 68.1 1.0 PB B:ANP1101 3.2 109.0 1.0 PG B:ANP1101 3.3 122.6 1.0 PA B:ANP1101 3.4 131.0 1.0 CG B:ASP855 3.6 66.1 1.0 O1G B:ANP1101 3.7 107.2 1.0 ND2 B:ASN842 3.7 73.9 1.0 O3A B:ANP1101 3.7 102.4 1.0 N3B B:ANP1101 3.8 110.9 1.0 CB B:ASP855 4.1 64.8 1.0 O B:ARG841 4.2 51.4 1.0 O5' B:ANP1101 4.2 87.4 1.0 CB B:ASN842 4.3 61.4 1.0 NZ B:LYS745 4.4 88.5 1.0 CA B:ASN842 4.4 50.6 1.0 O2B B:ANP1101 4.5 95.4 1.0 O1A B:ANP1101 4.5 89.5 1.0 OD1 B:ASP855 4.6 79.5 1.0 O3G B:ANP1101 4.7 87.7 1.0 C B:ARG841 4.7 64.8 1.0 CG2 B:THR854 4.8 55.0 1.0 N B:ASN842 4.8 46.8 1.0 C2' B:ANP1101 4.9 68.7 1.0 CG B:ARG841 5.0 45.6 1.0

T.S.Beyett, C.To, D.E.Heppner, J.Jang, B.H.Shin, G.Gomez, P.A.Janne, N.S.Gray, M.J.Eck. Egfr (T790M/V948R) Kinase in Complex with Pf-06747775 To Be Published.