Magnesium in PDB 7tho: Integrin ALAPHIIBBETA3 Complex with Eptifibatide

The structure of Integrin ALAPHIIBBETA3 Complex with Eptifibatide, PDB code: 7tho was solved by J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.44 / 2.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	260.34, 145.04, 104.87, 90, 90, 90
R / Rfree (%)	18.9 / 22.2

The structure of Integrin ALAPHIIBBETA3 Complex with Eptifibatide also contains other interesting chemical elements:

Calcium

(Ca)

12 atoms

The binding sites of Magnesium atom in the Integrin ALAPHIIBBETA3 Complex with Eptifibatide (pdb code 7tho). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Integrin ALAPHIIBBETA3 Complex with Eptifibatide, PDB code: 7tho:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Integrin ALAPHIIBBETA3 Complex with Eptifibatide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Integrin ALAPHIIBBETA3 Complex with Eptifibatide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:51.1 occ:1.00 OG B:SER121 2.1 52.7 1.0 OE2 B:GLU220 2.1 46.3 1.0 O B:HOH2108 2.1 44.1 1.0 O B:HOH2130 2.2 49.0 1.0 OG B:SER123 2.2 74.3 1.0 OD2 M:ASP4 2.3 83.7 1.0 CB B:SER121 2.9 51.3 1.0 CG M:ASP4 3.1 92.7 1.0 CD B:GLU220 3.2 46.0 1.0 CB B:SER123 3.3 78.4 1.0 CG B:GLU220 3.7 43.0 1.0 N B:SER123 3.9 76.9 1.0 OD1 M:ASP4 3.9 103.3 1.0 CB M:ASP4 4.0 89.6 1.0 OD2 B:ASP119 4.1 46.8 1.0 CA M:ASP4 4.1 81.2 1.0 CA B:SER121 4.1 49.5 1.0 CA B:SER123 4.2 77.4 1.0 OE1 B:GLU220 4.2 46.5 1.0 OD1 B:ASP251 4.3 63.1 1.0 O B:ALA218 4.3 49.9 1.0 C B:SER121 4.3 63.2 1.0 OD1 B:ASP119 4.4 51.0 1.0 N B:TYR122 4.5 68.3 1.0 CG B:ASP119 4.7 51.4 1.0 ND2 B:ASN215 4.7 58.3 1.0 C M:ASP4 4.7 83.0 1.0 O B:SER121 4.8 52.6 1.0 N B:SER121 4.9 52.7 1.0 CB B:ALA252 4.9 52.2 1.0 C B:SER123 5.0 76.2 1.0

Magnesium binding site 2 out of 2 in the Integrin ALAPHIIBBETA3 Complex with Eptifibatide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Integrin ALAPHIIBBETA3 Complex with Eptifibatide within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2001 b:95.6 occ:1.00 OE2 D:GLU220 2.0 98.4 1.0 O D:HOH2113 2.1 73.7 1.0 O D:HOH2111 2.1 80.0 1.0 OG D:SER121 2.1 87.5 1.0 OD2 N:ASP4 2.2 122.0 1.0 OG D:SER123 2.4 93.7 1.0 CB D:SER121 2.8 88.7 1.0 CD D:GLU220 3.1 91.8 1.0 CG N:ASP4 3.2 112.6 1.0 CB D:SER123 3.5 99.3 1.0 CG D:GLU220 3.8 84.5 1.0 N D:SER123 3.9 116.6 1.0 OD1 N:ASP4 3.9 107.2 1.0 CB N:ASP4 4.0 98.1 1.0 OE1 D:GLU220 4.1 81.8 1.0 CA N:ASP4 4.1 100.0 1.0 CA D:SER121 4.1 92.5 1.0 OD1 D:ASP251 4.2 85.6 1.0 OD2 D:ASP119 4.2 82.4 1.0 C D:SER121 4.3 97.8 1.0 CA D:SER123 4.3 110.2 1.0 N D:TYR122 4.4 97.4 1.0 O D:ALA218 4.4 78.1 1.0 OD1 D:ASP119 4.6 89.0 1.0 C N:ASP4 4.6 102.8 1.0 ND2 D:ASN215 4.8 86.7 1.0 CG D:ASP119 4.8 89.5 1.0 N N:TRP5 4.9 106.6 1.0 O D:SER121 4.9 111.2 1.0 N D:SER121 4.9 91.6 1.0

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Eptifibatide To Be Published.