Magnesium in PDB 3fcs: Structure of Complete Ectodomain of Integrin AIIBB3

The structure of Structure of Complete Ectodomain of Integrin AIIBB3, PDB code: 3fcs was solved by J.Zhu, B.-H.Luo, T.Xiao, C.Zhang, N.Nishida, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.31 / 2.55
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	81.300, 81.300, 654.623, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 26.8

The structure of Structure of Complete Ectodomain of Integrin AIIBB3 also contains other interesting chemical elements:

Calcium

(Ca)

14 atoms

The binding sites of Magnesium atom in the Structure of Complete Ectodomain of Integrin AIIBB3 (pdb code 3fcs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Complete Ectodomain of Integrin AIIBB3, PDB code: 3fcs:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Complete Ectodomain of Integrin AIIBB3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Complete Ectodomain of Integrin AIIBB3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:23.5 occ:1.00 O B:HOH756 1.8 58.3 1.0 O B:HOH692 1.8 32.0 1.0 OE2 B:GLU220 2.3 39.5 1.0 OG B:SER121 2.3 42.3 1.0 O B:HOH757 2.4 14.3 1.0 O B:HOH761 2.5 31.6 1.0 CB B:SER121 3.2 41.9 1.0 CD B:GLU220 3.3 38.8 1.0 OD2 B:ASP119 3.4 34.6 1.0 CG B:GLU220 3.8 38.5 1.0 OD1 B:ASP251 3.9 32.1 1.0 OD1 B:ASP119 4.0 35.5 1.0 O B:HOH758 4.1 8.2 1.0 OG B:SER123 4.1 39.4 1.0 CG B:ASP119 4.1 36.1 1.0 OE1 B:GLU220 4.4 38.6 1.0 O B:ALA218 4.4 32.2 1.0 CB B:ALA252 4.4 32.3 1.0 CA B:SER121 4.6 41.6 1.0 ND2 B:ASN215 4.7 35.0 1.0 CG B:ASP251 4.9 32.3 1.0 O B:HOH691 5.0 14.0 1.0

Magnesium binding site 2 out of 2 in the Structure of Complete Ectodomain of Integrin AIIBB3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Complete Ectodomain of Integrin AIIBB3 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2001 b:23.3 occ:1.00 O D:HOH787 1.8 31.1 1.0 O D:HOH781 1.9 9.4 1.0 O D:HOH782 2.1 4.0 1.0 OE2 D:GLU220 2.1 39.6 1.0 O D:HOH692 2.4 2.0 1.0 OG D:SER121 2.5 42.0 1.0 CD D:GLU220 3.0 38.9 1.0 CB D:SER121 3.3 41.9 1.0 CG D:GLU220 3.4 38.5 1.0 OD2 D:ASP119 3.7 33.9 1.0 O D:ALA218 4.1 31.7 1.0 OE1 D:GLU220 4.1 38.0 1.0 OD1 D:ASP251 4.1 31.7 1.0 OD1 D:ASP119 4.2 35.8 1.0 O D:HOH784 4.3 11.6 1.0 CG D:ASP119 4.4 36.0 1.0 CB D:ALA252 4.4 32.3 1.0 OG D:SER123 4.4 39.1 1.0 ND2 D:ASN215 4.5 35.9 1.0 CA D:SER121 4.7 41.6 1.0 CB D:GLU220 4.9 37.8 1.0 O D:HOH723 5.0 6.8 1.0

J.Zhu, B.H.Luo, T.Xiao, C.Zhang, N.Nishida, T.A.Springer. Structure of A Complete Integrin Ectodomain in A Physiologic Resting State and Activation and Deactivation By Applied Forces. Mol.Cell V. 32 849 2008.
ISSN: ISSN 1097-2765
PubMed: 19111664
DOI: 10.1016/J.MOLCEL.2008.11.018