Magnesium in PDB 3kex: Crystal Structure of the Catalytically Inactive Kinase Domain of the Human Epidermal Growth Factor Receptor 3 (HER3)

All present enzymatic activity of Crystal Structure of the Catalytically Inactive Kinase Domain of the Human Epidermal Growth Factor Receptor 3 (HER3):
2.7.10.1;

The structure of Crystal Structure of the Catalytically Inactive Kinase Domain of the Human Epidermal Growth Factor Receptor 3 (HER3), PDB code: 3kex was solved by N.Jura, Y.Shan, X.Cao, D.E.Shaw, J.Kuriyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.46 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	194.164, 47.637, 81.281, 90.00, 108.04, 90.00
R / Rfree (%)	24.1 / 28.3

The binding sites of Magnesium atom in the Crystal Structure of the Catalytically Inactive Kinase Domain of the Human Epidermal Growth Factor Receptor 3 (HER3) (pdb code 3kex). 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 Catalytically Inactive Kinase Domain of the Human Epidermal Growth Factor Receptor 3 (HER3), PDB code: 3kex:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Catalytically Inactive Kinase Domain of the Human Epidermal Growth Factor Receptor 3 (HER3)


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 Catalytically Inactive Kinase Domain of the Human Epidermal Growth Factor Receptor 3 (HER3) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:44.4 occ:1.00 O2A A:ANP1 2.2 51.0 1.0 OD1 A:ASN820 2.3 48.7 1.0 N3B A:ANP1 2.4 45.0 1.0 O A:HOH17 2.6 61.4 1.0 O3G A:ANP1 3.1 56.6 1.0 OD2 A:ASP833 3.1 80.2 1.0 CG A:ASP833 3.3 71.8 1.0 PG A:ANP1 3.3 50.8 1.0 PA A:ANP1 3.4 49.2 1.0 O3A A:ANP1 3.4 63.6 1.0 PB A:ANP1 3.5 49.2 1.0 CG A:ASN820 3.5 48.0 1.0 OD1 A:ASP833 3.6 72.3 1.0 O A:HOH18 3.8 61.9 1.0 CB A:ASP833 4.1 62.6 1.0 O A:ARG819 4.2 58.5 1.0 O1G A:ANP1 4.2 58.9 1.0 ND2 A:ASN820 4.3 40.5 1.0 O5' A:ANP1 4.4 48.3 1.0 O1B A:ANP1 4.4 72.6 1.0 O1A A:ANP1 4.5 55.0 1.0 CA A:ASN820 4.5 48.5 1.0 CB A:ASN820 4.6 42.8 1.0 O2B A:ANP1 4.6 57.1 1.0 C8 A:ANP1 4.7 42.0 1.0 O2G A:ANP1 4.7 45.6 1.0 C A:ARG819 4.8 52.8 1.0 C2' A:ANP1 4.8 55.0 1.0 NZ A:LYS723 4.8 41.5 1.0 C3' A:ANP1 4.9 61.4 1.0 N A:ASN820 5.0 50.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Catalytically Inactive Kinase Domain of the Human Epidermal Growth Factor Receptor 3 (HER3)


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 Catalytically Inactive Kinase Domain of the Human Epidermal Growth Factor Receptor 3 (HER3) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:46.0 occ:1.00 O2A B:ANP2 2.2 44.0 1.0 OD1 B:ASN820 2.3 48.8 1.0 N3B B:ANP2 2.4 45.3 1.0 O B:HOH21 2.5 64.5 1.0 O B:HOH22 2.6 67.8 1.0 O3G B:ANP2 2.9 53.6 1.0 OD2 B:ASP833 2.9 79.0 1.0 CG B:ASP833 3.1 72.5 1.0 PG B:ANP2 3.3 51.3 1.0 OD1 B:ASP833 3.4 68.6 1.0 PA B:ANP2 3.4 47.9 1.0 CG B:ASN820 3.4 49.7 1.0 PB B:ANP2 3.6 47.7 1.0 O3A B:ANP2 3.7 61.0 1.0 CB B:ASP833 3.8 62.2 1.0 ND2 B:ASN820 4.1 40.5 1.0 O1G B:ANP2 4.2 54.5 1.0 O B:ARG819 4.3 54.6 1.0 O1A B:ANP2 4.4 55.8 1.0 CA B:ASN820 4.6 50.9 1.0 CB B:ASN820 4.6 44.2 1.0 O5' B:ANP2 4.6 51.0 1.0 O1B B:ANP2 4.6 88.4 1.0 O2G B:ANP2 4.6 46.8 1.0 NZ B:LYS723 4.6 43.5 1.0 O2B B:ANP2 4.7 63.2 1.0 C8 B:ANP2 4.8 49.1 1.0 C2' B:ANP2 4.9 51.1 1.0 C B:ARG819 4.9 54.6 1.0

N.Jura, Y.Shan, X.Cao, D.E.Shaw, J.Kuriyan. Structural Analysis of the Catalytically Inactive Kinase Domain of the Human Egf Receptor 3. Proc.Natl.Acad.Sci.Usa V. 106 21608 2009.
ISSN: ISSN 0027-8424
PubMed: 20007378
DOI: 10.1073/PNAS.0912101106