Magnesium in PDB 2gs7: Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp

All present enzymatic activity of Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp:
2.7.10.1;

The structure of Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp, PDB code: 2gs7 was solved by X.Zhang, J.Gureasko, K.Shen, P.A.Cole, J.Kuriyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.601, 85.253, 78.327, 90.00, 96.36, 90.00
R / Rfree (%)	23.3 / 29.8

The structure of Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp also contains other interesting chemical elements:

Iodine

(I)

11 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp (pdb code 2gs7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp, PDB code: 2gs7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:36.1 occ:1.00 O2A A:ANP301 2.4 50.9 1.0 OD1 A:ASN818 2.4 33.0 1.0 OD2 A:ASP831 2.5 38.6 1.0 O A:HOH100 2.6 40.2 1.0 O1B A:ANP301 2.9 59.5 1.0 O2B A:ANP301 3.2 58.0 1.0 PB A:ANP301 3.3 57.4 1.0 PA A:ANP301 3.4 52.8 1.0 O3A A:ANP301 3.5 57.1 1.0 CG A:ASN818 3.6 31.9 1.0 CG A:ASP831 3.7 36.9 1.0 O5' A:ANP301 3.9 53.6 1.0 O A:ARG817 3.9 31.7 1.0 NZ A:LYS721 4.3 30.7 1.0 ND2 A:ASN818 4.4 34.8 1.0 OD1 A:ASP831 4.5 39.5 1.0 CA A:ASN818 4.5 26.4 1.0 CG2 A:THR830 4.6 35.2 1.0 CB A:ASN818 4.6 27.4 1.0 C A:ARG817 4.6 30.0 1.0 CB A:ASP831 4.6 34.4 1.0 O1A A:ANP301 4.8 54.1 1.0 N3B A:ANP301 4.9 65.8 1.0 N A:ASN818 4.9 28.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Inactive Egfr Kinase Domain in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:43.5 occ:1.00 O2A B:ANP302 2.5 53.8 1.0 OD2 B:ASP831 2.6 43.8 1.0 OD1 B:ASN818 2.6 32.5 1.0 O2B B:ANP302 2.7 63.9 1.0 O B:HOH38 2.9 38.0 1.0 O3A B:ANP302 3.1 60.5 1.0 PA B:ANP302 3.3 55.3 1.0 PB B:ANP302 3.5 63.7 1.0 O5' B:ANP302 3.7 54.9 1.0 CG B:ASP831 3.7 39.6 1.0 O B:ARG817 3.8 31.0 1.0 CG B:ASN818 3.9 33.0 1.0 CG2 B:THR830 4.1 35.2 1.0 NZ B:LYS721 4.3 44.2 1.0 OD1 B:ASP831 4.4 41.7 1.0 O1B B:ANP302 4.5 63.2 1.0 CA B:ASN818 4.5 27.8 1.0 C8 B:ANP302 4.6 47.5 1.0 C B:ARG817 4.6 29.1 1.0 O1A B:ANP302 4.7 56.0 1.0 N3B B:ANP302 4.7 70.8 1.0 CB B:ASN818 4.8 29.2 1.0 ND2 B:ASN818 4.8 31.3 1.0 C2' B:ANP302 4.8 52.8 1.0 CB B:ASP831 4.8 35.2 1.0 N B:ASN818 5.0 28.2 1.0 C3' B:ANP302 5.0 53.9 1.0 C5' B:ANP302 5.0 53.5 1.0

X.Zhang, J.Gureasko, K.Shen, P.A.Cole, J.Kuriyan. An Allosteric Mechanism For Activation of the Kinase Domain of Epidermal Growth Factor Receptor Cell(Cambridge,Mass.) V. 125 1137 2006.
ISSN: ISSN 0092-8674
PubMed: 16777603
DOI: 10.1016/J.CELL.2006.05.013