Magnesium in PDB 4wk4: Metal Ion and Ligand Binding of Integrin

The structure of Metal Ion and Ligand Binding of Integrin, PDB code: 4wk4 was solved by W.Xia, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.60 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.520, 112.160, 169.540, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23.6

The structure of Metal Ion and Ligand Binding of Integrin also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Magnesium atom in the Metal Ion and Ligand Binding of Integrin (pdb code 4wk4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Metal Ion and Ligand Binding of Integrin, PDB code: 4wk4:

Magnesium binding site 1 out of 1 in the Metal Ion and Ligand Binding of Integrin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Metal Ion and Ligand Binding of Integrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:64.0 occ:1.00 OD1 C:ASP5 2.0 72.6 1.0 OG B:SER132 2.1 74.8 1.0 O B:HOH623 2.1 0.2 1.0 O B:HOH617 2.1 48.0 1.0 OE1 B:GLU229 2.1 64.5 1.0 OG B:SER134 2.1 83.7 1.0 HB2 B:SER132 2.6 89.5 1.0 CB B:SER132 2.8 74.6 1.0 CG C:ASP5 3.2 71.4 1.0 H B:SER134 3.2 0.8 1.0 CD B:GLU229 3.2 65.1 1.0 HB3 B:SER132 3.2 89.5 1.0 HG3 B:GLU229 3.3 78.4 1.0 CB B:SER134 3.4 86.5 1.0 HB3 B:SER134 3.6 0.8 1.0 CG B:GLU229 3.7 65.3 1.0 HA C:ASP5 3.7 89.2 1.0 HG2 B:GLU229 3.8 78.4 1.0 OD2 C:ASP5 3.9 72.2 1.0 N B:SER134 4.0 88.1 1.0 OD2 B:ASP130 4.0 64.6 1.0 HB2 B:SER134 4.0 0.8 1.0 HD21 B:ASN224 4.1 82.0 1.0 O C:HOH103 4.1 1.0 1.0 CB C:ASP5 4.1 69.3 1.0 CA B:SER132 4.1 78.7 1.0 OD1 B:ASP259 4.2 74.6 1.0 HB2 C:ASP5 4.2 83.2 1.0 OD1 B:ASP130 4.3 63.9 1.0 OE2 B:GLU229 4.3 63.4 1.0 CA B:SER134 4.3 89.1 1.0 H B:TYR133 4.3 0.3 1.0 O B:SER227 4.4 61.6 1.0 C B:SER132 4.4 82.4 1.0 CA C:ASP5 4.4 74.3 1.0 N B:TYR133 4.4 84.4 1.0 HB3 B:ALA260 4.5 79.0 1.0 HB2 B:ALA260 4.5 79.0 1.0 HG2 B:MET135 4.5 90.9 1.0 CG B:ASP130 4.6 63.4 1.0 H B:SER132 4.6 91.7 1.0 H B:MET135 4.7 0.0 1.0 HA B:SER132 4.8 94.4 1.0 ND2 B:ASN224 4.8 68.3 1.0 HD22 B:ASN224 4.8 82.0 1.0 CB B:ALA260 4.9 65.8 1.0 N B:SER132 4.9 76.4 1.0 C C:ASP5 5.0 81.1 1.0 O B:SER132 5.0 83.3 1.0 C B:SER134 5.0 89.0 1.0 HA B:SER227 5.0 75.5 1.0 HB3 C:ASP5 5.0 83.2 1.0

W.Xia, T.A.Springer. Metal Ion and Ligand Binding of Integrin ALPHA5BETA1 at High Resolution To Be Published.