Magnesium in PDB 5e6u: 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: 5e6u 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)	46.44 / 2.50
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	154.980, 154.980, 115.450, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 22.6

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:

Chlorine	(Cl)	1 atom
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 5e6u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structures of Leukocyte Integrin ALB2: the Ai Domain, the Headpiece, and the Pocket For the Internal Ligand, PDB code: 5e6u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 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:25.6 occ:0.80 OD1 A:ASP239 2.1 41.8 1.0 O A:HOH4066 2.1 32.7 1.0 O A:HOH4091 2.1 35.1 1.0 OG A:SER141 2.1 31.7 1.0 OG A:SER139 2.2 39.6 1.0 CL A:CL2004 2.2 61.1 1.0 CG A:ASP239 2.9 37.5 1.0 CB A:SER139 3.2 39.8 1.0 OD2 A:ASP239 3.2 41.9 1.0 CB A:SER141 3.3 33.2 1.0 OD2 A:ASP137 3.9 42.6 1.0 OG1 A:THR206 3.9 41.6 1.0 C A:ASP239 4.0 35.4 1.0 N A:GLY240 4.0 23.6 1.0 O A:HOH4357 4.0 39.4 1.0 O A:ASP239 4.0 40.9 1.0 OD1 A:ASP137 4.1 41.6 1.0 CA A:GLY240 4.2 35.8 1.0 O A:HOH4027 4.2 47.5 1.0 N A:SER141 4.3 42.4 1.0 CB A:ASP239 4.3 25.3 1.0 CA A:SER141 4.3 35.8 1.0 CG A:ASP137 4.3 43.2 1.0 CA A:SER139 4.5 39.7 1.0 CA A:ASP239 4.6 24.2 1.0 N A:ASP239 4.8 29.0 1.0 C A:SER139 4.8 35.2 1.0 O A:HOH4245 4.9 31.2 1.0 C A:SER141 5.0 36.6 1.0

Magnesium binding site 2 out of 2 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 2 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 B:Mg2001 b:27.2 occ:0.87 O B:HOH4009 2.0 32.2 1.0 O B:HOH4077 2.0 22.3 1.0 OG B:SER114 2.0 38.4 1.0 O B:HOH4068 2.1 32.2 1.0 O B:HOH4043 2.1 24.7 1.0 OE2 B:GLU212 2.1 36.7 1.0 CB B:SER114 3.1 38.4 1.0 CD B:GLU212 3.3 38.1 1.0 CG B:GLU212 3.9 30.1 1.0 OD2 B:ASP112 3.9 29.6 1.0 OD1 B:ASP243 4.0 70.9 1.0 OD1 B:ASP242 4.0 23.9 1.0 OG B:SER116 4.2 35.1 1.0 OD1 B:ASP112 4.2 42.1 1.0 OE1 B:GLU212 4.3 42.2 1.0 CA B:SER114 4.4 37.4 1.0 O B:ALA210 4.4 34.3 1.0 CG B:ASP112 4.5 37.1 1.0 ND2 B:ASN207 4.5 44.3 1.0 O B:HOH4106 4.5 69.1 1.0 O B:HOH4192 4.6 35.1 1.0 C B:SER114 4.7 40.5 1.0 CG B:ASP243 4.8 60.8 1.0 O B:HOH4148 4.9 57.6 1.0 OD2 B:ASP243 4.9 55.9 1.0 N B:TYR115 5.0 40.2 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