Magnesium in PDB 8to3: Egfr(T790M/V948R) in Complex with LN5461

All present enzymatic activity of Egfr(T790M/V948R) in Complex with LN5461:
2.7.10.1;

The structure of Egfr(T790M/V948R) in Complex with LN5461, PDB code: 8to3 was solved by S.C.Chitnis, C.D.Pham, D.E.Heppner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.20 / 2.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.999, 73.369, 150.591, 90, 99.6, 90
R / Rfree (%)	22.9 / 26.9

The binding sites of Magnesium atom in the Egfr(T790M/V948R) in Complex with LN5461 (pdb code 8to3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Egfr(T790M/V948R) in Complex with LN5461, PDB code: 8to3:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Egfr(T790M/V948R) in Complex with LN5461


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 LN5461 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1101 b:45.9 occ:1.00 OD2 D:ASP855 2.0 50.7 1.0 O1B D:ANP1102 2.1 50.7 1.0 O2A D:ANP1102 2.1 48.6 1.0 OD1 D:ASN842 2.3 41.9 1.0 O1G D:ANP1102 2.4 47.6 1.0 CG D:ASP855 3.1 44.5 1.0 PA D:ANP1102 3.2 51.9 1.0 PB D:ANP1102 3.3 50.2 1.0 CG D:ASN842 3.5 40.1 1.0 O3A D:ANP1102 3.6 55.5 1.0 PG D:ANP1102 3.6 47.4 1.0 O5' D:ANP1102 3.7 48.5 1.0 O D:ARG841 3.9 38.7 1.0 N3B D:ANP1102 3.9 47.6 1.0 OD1 D:ASP855 3.9 44.8 1.0 NZ D:LYS745 4.1 46.2 1.0 CB D:ASP855 4.1 42.9 1.0 ND2 D:ASN842 4.3 40.3 1.0 O2B D:ANP1102 4.5 49.4 1.0 CA D:ASN842 4.5 35.7 1.0 O3G D:ANP1102 4.5 44.9 1.0 O1A D:ANP1102 4.6 49.0 1.0 CB D:ASN842 4.6 37.3 1.0 CG2 D:THR854 4.6 36.7 1.0 O2G D:ANP1102 4.7 51.4 1.0 C D:ARG841 4.8 36.9 1.0

Magnesium binding site 2 out of 3 in the Egfr(T790M/V948R) in Complex with LN5461


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Egfr(T790M/V948R) in Complex with LN5461 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1101 b:55.4 occ:1.00 O1A B:ANP1102 2.1 60.8 1.0 O2G B:ANP1102 2.2 64.2 1.0 OD1 B:ASN842 2.2 45.2 1.0 OD2 B:ASP855 2.2 53.5 1.0 O1B B:ANP1102 2.7 57.7 1.0 CG B:ASN842 3.2 43.5 1.0 CG B:ASP855 3.3 53.2 1.0 NZ B:LYS745 3.4 58.7 1.0 PA B:ANP1102 3.5 60.9 1.0 PG B:ANP1102 3.7 63.5 1.0 ND2 B:ASN842 3.7 45.0 1.0 PB B:ANP1102 3.7 60.4 1.0 CB B:ASP855 3.8 49.5 1.0 O3A B:ANP1102 4.0 64.7 1.0 N3B B:ANP1102 4.2 57.1 1.0 O5' B:ANP1102 4.2 57.2 1.0 CB B:ASN842 4.4 38.2 1.0 OD1 B:ASP855 4.4 63.1 1.0 O B:HOH1215 4.5 50.0 1.0 O1G B:ANP1102 4.5 53.4 1.0 O2A B:ANP1102 4.6 57.8 1.0 O3G B:ANP1102 4.6 62.1 1.0 CA B:ASN842 4.7 36.5 1.0 O B:ARG841 4.8 36.2 1.0 CG2 B:THR854 4.8 39.4 1.0 CE B:LYS745 4.8 58.4 1.0

Magnesium binding site 3 out of 3 in the Egfr(T790M/V948R) in Complex with LN5461


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Egfr(T790M/V948R) in Complex with LN5461 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1101 b:53.8 occ:1.00 OD1 C:ASN842 2.2 45.5 1.0 OD2 C:ASP855 2.3 52.0 1.0 O1B C:ANP1102 2.3 61.7 1.0 O1A C:ANP1102 2.4 61.7 1.0 O1G C:ANP1102 2.6 58.1 1.0 CG C:ASN842 3.4 43.3 1.0 CG C:ASP855 3.4 50.2 1.0 PB C:ANP1102 3.5 61.0 1.0 PA C:ANP1102 3.6 66.3 1.0 PG C:ANP1102 3.9 62.7 1.0 NZ C:LYS745 3.9 58.9 1.0 CB C:ASP855 4.0 46.2 1.0 O3A C:ANP1102 4.0 70.9 1.0 C5' C:ANP1102 4.0 60.4 1.0 O C:ARG841 4.1 38.5 1.0 N3B C:ANP1102 4.1 59.4 1.0 CA C:ASN842 4.2 38.4 1.0 ND2 C:ASN842 4.3 42.7 1.0 CB C:ASN842 4.4 38.0 1.0 O5' C:ANP1102 4.4 63.4 1.0 OD1 C:ASP855 4.4 55.1 1.0 C C:ARG841 4.7 39.1 1.0 O2B C:ANP1102 4.7 62.0 1.0 N C:ASN842 4.8 38.3 1.0 O3G C:ANP1102 4.8 53.4 1.0 O2A C:ANP1102 4.8 66.6 1.0 CG2 C:THR854 4.9 39.4 1.0 O2G C:ANP1102 4.9 68.4 1.0

S.P.Chitnis, C.D.Pham, D.E.Heppner. Egfr(T790M/V948R) in Complex with LN5461 To Be Published.