Magnesium in PDB 4bj3: Integrin ALPHA2 I Domain E318W-Collagen Complex

The structure of Integrin ALPHA2 I Domain E318W-Collagen Complex, PDB code: 4bj3 was solved by F.Carafoli, S.W.Hamaia, D.Bihan, E.Hohenester, R.W.Farndale, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.346 / 3.04
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.004, 83.004, 175.256, 90.00, 90.00, 90.00
R / Rfree (%)	24.57 / 29.77

The structure of Integrin ALPHA2 I Domain E318W-Collagen Complex also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Integrin ALPHA2 I Domain E318W-Collagen Complex (pdb code 4bj3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Integrin ALPHA2 I Domain E318W-Collagen Complex, PDB code: 4bj3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Integrin ALPHA2 I Domain E318W-Collagen Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Integrin ALPHA2 I Domain E318W-Collagen Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:61.0 occ:1.00 OE2 E:GLU12 2.1 54.8 1.0 OG A:SER155 2.1 60.8 1.0 OG1 A:THR221 2.1 65.1 1.0 OG A:SER153 2.1 61.0 1.0 CD E:GLU12 2.9 59.8 1.0 OE1 E:GLU12 3.1 59.9 1.0 CB A:THR221 3.1 60.9 1.0 CB A:SER153 3.1 50.2 1.0 CG2 A:THR221 3.2 52.8 1.0 CB A:SER155 3.3 53.4 1.0 O A:GLU256 3.6 74.9 1.0 OD2 A:ASP151 4.0 64.1 1.0 N A:SER155 4.1 46.8 1.0 OD1 A:ASP254 4.1 60.7 1.0 CA A:SER155 4.2 45.5 1.0 CG E:GLU12 4.3 58.9 1.0 CA A:THR221 4.4 55.8 1.0 CA A:SER153 4.4 50.9 1.0 OD1 A:ASP151 4.4 61.1 1.0 OD2 A:ASP254 4.5 59.9 1.0 C A:SER153 4.6 58.4 1.0 CB A:GLU256 4.6 64.4 1.0 CG A:ASP151 4.6 62.8 1.0 C A:GLU256 4.7 62.0 1.0 CG A:ASP254 4.7 60.1 1.0 N A:ASN154 4.8 58.5 1.0 N A:THR221 4.9 57.0 1.0 C A:SER155 4.9 46.5 1.0 O A:SER153 5.0 51.6 1.0

Magnesium binding site 2 out of 2 in the Integrin ALPHA2 I Domain E318W-Collagen Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Integrin ALPHA2 I Domain E318W-Collagen Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:62.1 occ:1.00 OG B:SER153 2.1 54.5 1.0 OG B:SER155 2.1 59.2 1.0 OE2 C:GLU12 2.1 55.7 1.0 OG1 B:THR221 2.1 60.1 1.0 CD C:GLU12 2.9 54.2 1.0 CB B:SER153 3.1 52.5 1.0 CB B:THR221 3.1 56.0 1.0 OE1 C:GLU12 3.1 57.4 1.0 CB B:SER155 3.3 54.8 1.0 CG2 B:THR221 3.3 58.8 1.0 O B:GLU256 3.8 67.5 1.0 OD2 B:ASP151 3.8 64.5 1.0 OD1 B:ASP151 4.0 60.3 1.0 N B:SER155 4.0 51.2 1.0 OD1 B:ASP254 4.2 71.9 1.0 CA B:SER155 4.2 50.0 1.0 OD2 B:ASP254 4.3 64.1 1.0 CG B:ASP151 4.3 61.9 1.0 CA B:SER153 4.4 56.2 1.0 CG C:GLU12 4.4 53.9 1.0 CA B:THR221 4.4 53.9 1.0 C B:SER153 4.6 57.5 1.0 CG B:ASP254 4.6 74.0 1.0 N B:ASN154 4.8 56.6 1.0 C B:SER155 4.8 59.2 1.0 N B:ILE156 4.9 58.5 1.0 N B:THR221 4.9 52.5 1.0 C B:GLU256 5.0 63.6 1.0 N B:SER153 5.0 61.0 1.0 CG1 B:ILE156 5.0 57.0 1.0

F.Carafoli, S.W.Hamaia, D.Bihan, E.Hohenester, R.W.Farndale. An Activating Mutation Reveals A Second Binding Mode of the Integrin ALPHA2 I Domain to the Gfoger Motif in Collagens. Plos One V. 8 69833 2013.
ISSN: ISSN 1932-6203
PubMed: 23922814
DOI: 10.1371/JOURNAL.PONE.0069833