Magnesium in PDB 7td8: Integrin ALAPHIIBBETA3 Complex with Tirofiban

The structure of Integrin ALAPHIIBBETA3 Complex with Tirofiban, PDB code: 7td8 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)	48.31 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	256.56, 144.37, 104.29, 90, 90, 90
R / Rfree (%)	18.2 / 21

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

Calcium

(Ca)

12 atoms

The binding sites of Magnesium atom in the Integrin ALAPHIIBBETA3 Complex with Tirofiban (pdb code 7td8). 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 Tirofiban, PDB code: 7td8:
Jump to Magnesium binding site number: 1; 2;

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


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 Tirofiban within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:33.8 occ:1.00 OXT B:AGG2005 2.0 32.0 1.0 O B:HOH2146 2.0 25.9 1.0 O B:HOH2134 2.1 31.4 1.0 OE2 B:GLU220 2.1 37.5 1.0 OG B:SER121 2.2 38.5 1.0 OG B:SER123 2.3 36.9 1.0 CB B:SER121 3.0 39.3 1.0 C B:AGG2005 3.1 38.1 1.0 CD B:GLU220 3.2 36.2 1.0 CB B:SER123 3.4 36.7 1.0 CG B:GLU220 3.8 34.0 1.0 CA B:AGG2005 3.9 39.2 1.0 CB B:AGG2005 3.9 39.4 1.0 O B:AGG2005 4.0 34.5 1.0 N B:SER123 4.0 45.4 1.0 OD1 B:ASP251 4.2 45.1 1.0 OE1 B:GLU220 4.3 42.4 1.0 O B:HOH2221 4.3 59.1 1.0 CA B:SER121 4.3 39.9 1.0 CA B:SER123 4.3 45.1 1.0 O B:ALA218 4.3 42.9 1.0 OD2 B:ASP119 4.3 39.9 1.0 OD1 B:ASP119 4.4 41.2 1.0 C B:SER121 4.4 40.2 1.0 N B:TYR122 4.5 41.3 1.0 CB B:ALA252 4.7 33.0 1.0 ND2 B:ASN215 4.7 35.5 1.0 CG B:ASP119 4.8 39.4 1.0 O B:SER121 5.0 42.4 1.0

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


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 Tirofiban within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2001 b:48.8 occ:1.00 OE2 D:GLU220 2.0 65.4 1.0 OXT D:AGG2005 2.0 55.9 1.0 O D:HOH2132 2.0 41.6 1.0 O D:HOH2147 2.1 44.1 1.0 OG D:SER121 2.2 56.1 1.0 OG D:SER123 2.4 53.9 1.0 CB D:SER121 3.1 53.9 1.0 C D:AGG2005 3.1 54.3 1.0 CD D:GLU220 3.2 62.1 1.0 O D:HOH2136 3.2 68.3 1.0 CB D:SER123 3.7 65.8 1.0 CG D:GLU220 3.9 56.7 1.0 O D:AGG2005 4.0 48.2 1.0 CA D:AGG2005 4.0 54.5 1.0 CB D:AGG2005 4.1 52.7 1.0 OE1 D:GLU220 4.1 63.7 1.0 OD1 D:ASP251 4.2 55.1 1.0 N D:SER123 4.2 72.7 1.0 OD2 D:ASP119 4.3 54.6 1.0 CA D:SER121 4.4 56.6 1.0 OD1 D:ASP119 4.4 47.3 1.0 O D:ALA218 4.4 56.8 1.0 C D:SER121 4.6 60.7 1.0 CA D:SER123 4.6 69.5 1.0 CB D:ALA252 4.6 51.6 1.0 N D:TYR122 4.7 67.1 1.0 CG D:ASP119 4.8 52.0 1.0 ND2 D:ASN215 4.8 53.7 1.0

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