Magnesium in PDB 6wak: A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754

All present enzymatic activity of A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754:
2.7.10.1;

The structure of A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754, PDB code: 6wak was solved by D.E.Heppner, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	85.58 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.472, 103.371, 87.249, 90, 101.24, 90
R / Rfree (%)	21.8 / 23

The binding sites of Magnesium atom in the A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754 (pdb code 6wak). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754, PDB code: 6wak:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1102 b:24.9 occ:1.00 OD2 D:ASP855 1.9 35.2 1.0 O2A D:ANP1101 1.9 36.0 1.0 O2B D:ANP1101 2.1 39.4 1.0 OD1 D:ASN842 2.1 24.9 1.0 O1G D:ANP1101 2.4 35.6 1.0 O D:HOH1232 2.5 32.1 1.0 CG D:ASP855 3.1 29.0 1.0 CG D:ASN842 3.2 15.7 1.0 PA D:ANP1101 3.3 31.6 1.0 PB D:ANP1101 3.4 27.0 1.0 NZ D:LYS745 3.7 24.2 1.0 O3A D:ANP1101 3.8 38.0 1.0 ND2 D:ASN842 3.8 17.0 1.0 PG D:ANP1101 3.8 27.2 1.0 CB D:ASP855 3.8 22.8 1.0 O5' D:ANP1101 3.9 29.7 1.0 OD1 D:ASP855 4.0 36.9 1.0 N3B D:ANP1101 4.3 38.1 1.0 O1A D:ANP1101 4.4 37.1 1.0 O1B D:ANP1101 4.5 25.9 1.0 CG2 D:THR854 4.5 27.2 1.0 CB D:ASN842 4.5 13.8 1.0 O3G D:ANP1101 4.5 34.6 1.0 O D:ARG841 4.6 18.2 1.0 CA D:ASN842 4.6 17.1 1.0 O2G D:ANP1101 4.9 37.0 1.0 O D:HOH1209 5.0 37.8 1.0

Magnesium binding site 2 out of 3 in the A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:37.9 occ:1.00 OD2 A:ASP855 2.0 39.9 1.0 O2A A:ANP1101 2.0 39.5 1.0 O A:HOH1216 2.1 33.2 1.0 O1B A:ANP1101 2.1 34.3 1.0 O1G A:ANP1101 2.2 37.4 1.0 OD1 A:ASN842 2.2 27.8 1.0 CG A:ASP855 3.1 32.3 1.0 PB A:ANP1101 3.3 34.9 1.0 CG A:ASN842 3.3 24.3 1.0 PA A:ANP1101 3.4 36.7 1.0 PG A:ANP1101 3.5 33.2 1.0 NZ A:LYS745 3.6 44.3 1.0 O3A A:ANP1101 3.7 49.7 1.0 OD1 A:ASP855 3.9 36.3 1.0 CB A:ASP855 3.9 25.8 1.0 ND2 A:ASN842 4.0 23.9 1.0 N3B A:ANP1101 4.0 37.9 1.0 O A:ARG841 4.3 28.9 1.0 O5' A:ANP1101 4.3 32.4 1.0 O2G A:ANP1101 4.3 21.7 1.0 O1A A:ANP1101 4.4 33.9 1.0 CG2 A:THR854 4.5 24.1 1.0 CB A:ASN842 4.5 23.5 1.0 O2B A:ANP1101 4.5 36.8 1.0 CA A:ASN842 4.5 18.4 1.0 O3G A:ANP1101 4.6 41.7 1.0 C3' A:ANP1101 4.6 39.3 1.0 C A:ARG841 4.9 23.1 1.0 O A:HOH1209 4.9 30.4 1.0 O3' A:ANP1101 4.9 42.8 1.0

Magnesium binding site 3 out of 3 in the A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of A Crystal Structure of Egfr(T790M/V948R) in Complex with LN3754 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1102 b:26.7 occ:1.00 OD2 B:ASP855 1.9 29.7 1.0 O3G B:ANP1101 2.0 32.5 1.0 OD1 B:ASN842 2.1 19.1 1.0 O2A B:ANP1101 2.2 33.5 1.0 O1B B:ANP1101 2.3 31.5 1.0 O B:HOH1253 2.4 30.6 1.0 CG B:ASP855 3.1 28.6 1.0 CG B:ASN842 3.3 21.8 1.0 PB B:ANP1101 3.4 26.0 1.0 PA B:ANP1101 3.4 32.3 1.0 PG B:ANP1101 3.5 28.8 1.0 O3A B:ANP1101 3.7 35.8 1.0 ND2 B:ASN842 3.9 14.7 1.0 N3B B:ANP1101 3.9 29.4 1.0 OD1 B:ASP855 3.9 34.5 1.0 O5' B:ANP1101 4.0 30.6 1.0 CB B:ASP855 4.0 20.1 1.0 NZ B:LYS745 4.0 37.0 1.0 O B:ARG841 4.2 15.0 1.0 O2G B:ANP1101 4.3 26.6 1.0 O B:HOH1202 4.4 26.3 1.0 CB B:ASN842 4.4 15.2 1.0 CG2 B:THR854 4.4 13.4 1.0 O1G B:ANP1101 4.5 27.0 1.0 CA B:ASN842 4.6 12.7 1.0 O2B B:ANP1101 4.7 45.4 1.0 O1A B:ANP1101 4.7 33.3 1.0 C B:ARG841 4.9 16.7 1.0

D.E.Heppner, M.J.Eck. Crystal Structure of Egfr To Be Published.