Magnesium in PDB 3k6s: Structure of Integrin ALPHAXBETA2 Ectodomain

The structure of Structure of Integrin ALPHAXBETA2 Ectodomain, PDB code: 3k6s was solved by C.Xie, J.Zhu, X.Chen, L.Mi, N.Nishida, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.61 / 3.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	132.095, 163.561, 536.911, 90.00, 90.00, 90.00
R / Rfree (%)	29.7 / 33.5

The structure of Structure of Integrin ALPHAXBETA2 Ectodomain also contains other interesting chemical elements:

Calcium

(Ca)

16 atoms

The binding sites of Magnesium atom in the Structure of Integrin ALPHAXBETA2 Ectodomain (pdb code 3k6s). 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 Structure of Integrin ALPHAXBETA2 Ectodomain, PDB code: 3k6s:

Magnesium binding site 1 out of 1 in the Structure of Integrin ALPHAXBETA2 Ectodomain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Integrin ALPHAXBETA2 Ectodomain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2009 b:0.4 occ:1.00 OG A:SER142 1.8 0.9 1.0 O A:HOH4001 2.0 51.5 1.0 O A:HOH4002 2.0 0.3 1.0 OG A:SER140 2.2 0.3 1.0 OD1 A:ASP240 2.2 0.9 1.0 O A:HOH4003 2.2 0.1 1.0 CB A:SER142 3.0 0.2 1.0 OD2 A:ASP138 3.0 0.7 1.0 CG A:ASP240 3.1 0.4 1.0 OD2 A:ASP240 3.4 0.9 1.0 CB A:SER140 3.4 81.9 1.0 CG A:ASP138 4.1 0.3 1.0 CA A:SER142 4.1 0.5 1.0 OG1 A:THR207 4.2 93.7 1.0 N A:SER142 4.3 0.4 1.0 OD1 A:ASP138 4.4 0.6 1.0 C A:ASP240 4.4 0.3 1.0 N A:GLY241 4.4 0.5 1.0 CB A:ASP240 4.5 1.0 1.0 N A:ILE143 4.6 0.3 1.0 CA A:SER140 4.6 0.2 1.0 O A:ASP240 4.6 0.4 1.0 CG1 A:ILE143 4.6 0.9 1.0 C A:SER142 4.7 0.5 1.0 CA A:GLY241 4.7 0.1 1.0 N A:ASP240 4.8 0.6 1.0 CA A:ASP240 4.8 74.7 1.0 C A:SER140 4.8 0.4 1.0 O A:SER140 4.9 0.5 1.0 N A:SER140 5.0 0.0 1.0

C.Xie, J.Zhu, X.Chen, L.Mi, N.Nishida, T.A.Springer. Structure of An Integrin with An Alphai Domain, Complement Receptor Type 4. Embo J. V. 29 666 2010.
ISSN: ISSN 0261-4189
PubMed: 20033057
DOI: 10.1038/EMBOJ.2009.367