Magnesium in PDB 4neh: An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2

The structure of An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2, PDB code: 4neh was solved by M.Sen, K.Yuki, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.66 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	126.967, 131.444, 190.477, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.5

The structure of An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	5 atoms
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2 (pdb code 4neh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2, PDB code: 4neh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:69.7 occ:1.00 O A:HOH1245 2.1 60.9 1.0 O A:HOH1268 2.1 92.0 1.0 OG1 A:THR207 2.1 64.9 1.0 OG A:SER142 2.1 75.8 1.0 OG A:SER140 2.1 64.2 1.0 CL A:CL1120 2.2 82.1 1.0 CB A:SER140 2.8 65.1 1.0 CB A:SER142 3.1 64.2 1.0 CB A:THR207 3.4 62.0 1.0 N A:SER142 3.7 67.8 1.0 CA A:SER142 4.0 70.8 1.0 CG2 A:THR207 4.0 59.3 1.0 O A:LYS242 4.1 74.3 1.0 CA A:SER140 4.1 62.6 1.0 OD2 A:ASP240 4.2 85.6 1.0 OD2 A:ASP138 4.3 59.8 1.0 N A:GLY141 4.3 81.2 1.0 C A:SER140 4.4 78.5 1.0 OD1 A:ASP240 4.4 0.8 1.0 OD1 A:ASP138 4.5 82.4 1.0 CA A:THR207 4.5 62.6 1.0 N A:THR207 4.6 63.9 1.0 CG A:LYS242 4.6 1.0 1.0 C A:PHE206 4.7 64.9 1.0 O A:PHE206 4.7 73.4 1.0 CG A:ASP240 4.7 93.0 1.0 CG A:ASP138 4.8 73.2 1.0 C A:GLY141 4.8 72.9 1.0 C A:SER142 4.8 85.0 1.0 N A:ILE143 4.9 80.2 1.0 N A:SER140 5.0 54.9 1.0

Magnesium binding site 2 out of 2 in the An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, AXB2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:46.5 occ:1.00 OE1 A:GLU318 2.0 52.9 1.0 OE1 B:GLU212 2.0 58.2 1.0 O B:HOH801 2.1 40.5 1.0 O B:HOH821 2.1 41.8 1.0 OG B:SER116 2.1 45.4 1.0 OG B:SER114 2.1 59.2 1.0 CB B:SER114 2.8 58.5 1.0 CD B:GLU212 3.1 53.6 1.0 CD A:GLU318 3.2 62.5 1.0 CB B:SER116 3.3 37.5 1.0 CG B:GLU212 3.6 43.1 1.0 OD1 B:ASP242 3.7 84.3 1.0 CG A:GLU318 3.9 56.7 1.0 CB A:GLU318 4.0 60.5 1.0 O B:ALA210 4.1 62.7 1.0 N B:SER116 4.1 38.9 1.0 OE2 A:GLU318 4.1 68.2 1.0 OD1 B:ASP112 4.1 55.1 1.0 CA B:SER114 4.2 62.8 1.0 OE2 B:GLU212 4.2 56.4 1.0 CA B:SER116 4.2 51.8 1.0 OD2 B:ASP112 4.3 54.8 1.0 C B:SER114 4.4 54.8 1.0 OD2 B:ASP242 4.5 80.4 1.0 CG B:ASP242 4.5 80.0 1.0 O B:HOH856 4.6 81.5 1.0 CG B:ASP112 4.6 57.7 1.0 ND2 B:ASN207 4.7 69.7 1.0 N B:TYR115 4.7 42.0 1.0 O B:SER114 4.8 62.9 1.0 N B:MET117 4.9 65.3 1.0 C B:SER116 4.9 64.1 1.0 CB B:ASP243 4.9 69.8 1.0 N B:SER114 4.9 61.0 1.0 CG B:MET117 5.0 38.2 1.0

M.Sen, K.Yuki, T.A.Springer. An Internal Ligand-Bound, Metastable State of A Leukocyte Integrin, Alpha X Beta 2. J.Cell Biol. V. 203 629 2013.
ISSN: ISSN 0021-9525
PubMed: 24385486
DOI: 10.1083/JCB.201308083