Magnesium in PDB 8fv4: Egfr(T790M/V948R) in Complex with Compound 2 (LN5993)

All present enzymatic activity of Egfr(T790M/V948R) in Complex with Compound 2 (LN5993):
2.7.10.1;

The structure of Egfr(T790M/V948R) in Complex with Compound 2 (LN5993), PDB code: 8fv4 was solved by B.C.Ogboo, T.S.Beyett, M.J.Eck, D.E.Heppner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.03 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.606, 100.485, 87.318, 90, 102.32, 90
R / Rfree (%)	20.2 / 26.1

The binding sites of Magnesium atom in the Egfr(T790M/V948R) in Complex with Compound 2 (LN5993) (pdb code 8fv4). 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(T790M/V948R) in Complex with Compound 2 (LN5993), PDB code: 8fv4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Egfr(T790M/V948R) in Complex with Compound 2 (LN5993)


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 Compound 2 (LN5993) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1101 b:42.7 occ:1.00 OD2 A:ASP855 1.9 50.4 1.0 O1B A:ANP1102 2.1 45.6 1.0 O1A A:ANP1102 2.1 49.0 1.0 O A:HOH1228 2.2 43.9 1.0 O3G A:ANP1102 2.2 49.0 1.0 OD1 A:ASN842 2.3 43.2 1.0 CG A:ASP855 3.1 45.4 1.0 PA A:ANP1102 3.2 49.9 1.0 PB A:ANP1102 3.3 48.0 1.0 CG A:ASN842 3.4 40.4 1.0 O3A A:ANP1102 3.6 52.5 1.0 PG A:ANP1102 3.6 48.8 1.0 NZ A:LYS745 3.7 48.2 1.0 OD1 A:ASP855 3.8 46.8 1.0 O5' A:ANP1102 3.9 50.3 1.0 N3B A:ANP1102 4.0 44.5 1.0 ND2 A:ASN842 4.1 42.0 1.0 CB A:ASP855 4.2 42.2 1.0 O A:HOH1210 4.2 47.6 1.0 O A:ARG841 4.3 40.5 1.0 O A:HOH1235 4.5 56.8 1.0 CB A:ASN842 4.5 35.5 1.0 O2B A:ANP1102 4.5 44.7 1.0 CA A:ASN842 4.5 35.8 1.0 O2A A:ANP1102 4.5 49.6 1.0 O2G A:ANP1102 4.6 46.5 1.0 O1G A:ANP1102 4.6 53.0 1.0 O A:HOH1211 4.8 50.2 1.0 C A:ARG841 4.8 39.6 1.0 CE A:LYS745 4.9 47.3 1.0 N A:ASN842 4.9 36.8 1.0

Magnesium binding site 2 out of 2 in the Egfr(T790M/V948R) in Complex with Compound 2 (LN5993)


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 Compound 2 (LN5993) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1101 b:59.0 occ:1.00 O2A C:ANP1102 1.9 62.4 1.0 OD1 C:ASN842 1.9 53.5 1.0 O2B C:ANP1102 2.2 60.5 1.0 OD2 C:ASP855 2.2 54.6 1.0 O1G C:ANP1102 2.2 62.2 1.0 CG C:ASN842 3.1 46.8 1.0 PA C:ANP1102 3.2 67.2 1.0 PB C:ANP1102 3.4 63.5 1.0 CG C:ASP855 3.4 49.5 1.0 PG C:ANP1102 3.6 65.5 1.0 O3A C:ANP1102 3.7 66.7 1.0 O C:ARG841 3.9 40.0 1.0 CA C:ASN842 4.0 41.4 1.0 ND2 C:ASN842 4.0 43.7 1.0 N3B C:ANP1102 4.0 58.5 1.0 CB C:ASN842 4.1 41.7 1.0 O1A C:ANP1102 4.1 62.0 1.0 CG2 C:THR854 4.1 43.7 1.0 OD1 C:ASP855 4.2 50.5 1.0 CB C:ASP855 4.2 48.7 1.0 NZ C:LYS745 4.3 54.3 1.0 O5' C:ANP1102 4.3 60.9 1.0 O2G C:ANP1102 4.4 66.1 1.0 C C:ARG841 4.5 43.4 1.0 O C:HOH1231 4.5 54.7 1.0 N C:ASN842 4.5 37.5 1.0 CG C:ARG841 4.7 44.1 1.0 O1B C:ANP1102 4.7 58.7 1.0 O3G C:ANP1102 4.7 52.8 1.0 C5' C:ANP1102 4.9 60.0 1.0

B.C.Ogboo, M.J.Eck, T.S.Beyett, D.E.Heppner. Egfr(T790M/V948R) in Complex with Compound 2 (LN5993) To Be Published.