Magnesium in PDB 5e6r: Structures of Leukocyte Integrin ALB2: the Ai Domain, the Headpiece, and the Pocket For the Internal Ligand

The structure of Structures of Leukocyte Integrin ALB2: the Ai Domain, the Headpiece, and the Pocket For the Internal Ligand, PDB code: 5e6r was solved by M.Sen, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.24 / 2.90
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	153.929, 153.929, 116.454, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 22.9

The structure of Structures of Leukocyte Integrin ALB2: the Ai Domain, the Headpiece, and the Pocket For the Internal Ligand also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Magnesium atom in the Structures of Leukocyte Integrin ALB2: the Ai Domain, the Headpiece, and the Pocket For the Internal Ligand (pdb code 5e6r). 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 Structures of Leukocyte Integrin ALB2: the Ai Domain, the Headpiece, and the Pocket For the Internal Ligand, PDB code: 5e6r:

Magnesium binding site 1 out of 1 in the Structures of Leukocyte Integrin ALB2: the Ai Domain, the Headpiece, and the Pocket For the Internal Ligand


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structures of Leukocyte Integrin ALB2: the Ai Domain, the Headpiece, and the Pocket For the Internal Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2001 b:86.8 occ:1.00 OG A:SER139 2.2 94.5 1.0 OD1 A:ASP239 2.3 80.2 1.0 OG A:SER141 2.5 75.4 1.0 OG1 A:THR206 2.5 74.8 1.0 CB A:SER139 2.8 87.2 1.0 O A:HOH4055 2.9 77.5 1.0 OD2 A:ASP137 3.1 87.4 1.0 O A:HOH4103 3.4 77.2 1.0 CG A:ASP239 3.5 78.3 1.0 CB A:THR206 3.8 74.6 1.0 CB A:SER141 3.8 75.2 1.0 CG A:ASP137 3.9 87.7 1.0 OD1 A:ASP137 4.0 98.0 1.0 OD2 A:ASP239 4.0 82.1 1.0 N A:GLY240 4.1 63.8 1.0 CG2 A:THR206 4.3 74.9 1.0 CA A:SER139 4.3 78.3 1.0 CA A:GLY240 4.4 65.2 1.0 O A:HOH4131 4.4 71.0 1.0 C A:ASP239 4.6 64.8 1.0 N A:SER141 4.7 78.9 1.0 CB A:ASP239 4.8 73.8 1.0 N A:SER139 4.9 74.0 1.0 CA A:SER141 4.9 76.7 1.0 C A:SER139 4.9 76.9 1.0 N A:ASP239 4.9 62.9 1.0 O A:HOH4140 4.9 81.7 1.0 CA A:THR206 5.0 74.0 1.0 CA A:ASP239 5.0 66.4 1.0

M.Sen, T.A.Springer. Leukocyte Integrin Alpha L Beta 2 Headpiece Structures: the Alpha I Domain, the Pocket For the Internal Ligand, and Concerted Movements of Its Loops. Proc.Natl.Acad.Sci.Usa V. 113 2940 2016.
ISSN: ESSN 1091-6490
PubMed: 26936951
DOI: 10.1073/PNAS.1601379113