Magnesium in PDB 4ixd: X-Ray Structure of Lfa-1 I-Domain in Complex with Ibe-667 at 1.8A Resolution

The structure of X-Ray Structure of Lfa-1 I-Domain in Complex with Ibe-667 at 1.8A Resolution, PDB code: 4ixd was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.97 / 1.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	45.300, 65.900, 133.600, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 19.9

The binding sites of Magnesium atom in the X-Ray Structure of Lfa-1 I-Domain in Complex with Ibe-667 at 1.8A Resolution (pdb code 4ixd). 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 X-Ray Structure of Lfa-1 I-Domain in Complex with Ibe-667 at 1.8A Resolution, PDB code: 4ixd:

Magnesium binding site 1 out of 1 in the X-Ray Structure of Lfa-1 I-Domain in Complex with Ibe-667 at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of Lfa-1 I-Domain in Complex with Ibe-667 at 1.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:9.8 occ:1.00 O A:HOH509 2.0 10.4 1.0 OD1 A:ASP239 2.1 8.5 1.0 OG A:SER141 2.1 12.5 1.0 O A:HOH507 2.1 10.1 1.0 O A:HOH504 2.1 10.4 1.0 OG A:SER139 2.2 10.7 1.0 CG A:ASP239 3.1 9.1 1.0 CB A:SER141 3.2 12.6 1.0 CB A:SER139 3.2 11.2 1.0 OD2 A:ASP239 3.4 9.4 1.0 OG1 A:THR206 4.0 9.4 1.0 C A:ASP239 4.0 8.9 1.0 OD2 A:ASP137 4.0 8.6 1.0 O A:ASP239 4.0 9.3 1.0 OD1 A:ASP137 4.1 9.8 1.0 N A:GLY240 4.1 9.0 1.0 N A:SER141 4.3 12.6 1.0 O A:HOH514 4.3 13.8 1.0 CA A:SER141 4.3 12.6 1.0 CA A:GLY240 4.3 9.2 1.0 CB A:ASP239 4.4 8.6 1.0 CG A:ASP137 4.4 9.1 1.0 CA A:SER139 4.5 11.2 1.0 O A:HOH511 4.6 11.8 1.0 CA A:ASP239 4.6 8.7 1.0 C A:SER139 4.7 11.7 1.0 O A:HOH516 4.9 13.3 1.0 N A:ASP239 4.9 8.2 1.0 N A:LEU142 4.9 12.7 1.0 C A:SER141 5.0 12.7 1.0

M.Hintersteiner, J.Kallen, M.Schmied, T.Jung, C.Graf, G.Mudd, H.Gstach, M.Auer. Identification and X-Ray Structure Based Investigation of An Icam-1 Binding Enhancing Small Molecule Activator of Lfa-1 To Be Published 2013.