Magnesium in PDB 7tmz: Integrin ALAPHIIBBETA3 Complex with Bms Compound 4

The structure of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4, PDB code: 7tmz 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)	49.38 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	258.89, 144.21, 105.12, 90, 90, 90
R / Rfree (%)	21.4 / 24.1

The structure of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Calcium	(Ca)	12 atoms

The binding sites of Magnesium atom in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 (pdb code 7tmz). 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 Bms Compound 4, PDB code: 7tmz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:26.8 occ:1.00 O B:HOH2116 2.1 44.1 1.0 O B:HOH2123 2.1 35.5 1.0 O2 B:I7R2005 2.1 54.9 1.0 O B:HOH2142 2.1 38.9 1.0 OE2 B:GLU220 2.2 36.0 1.0 OG B:SER121 2.3 48.4 1.0 HB2 B:SER121 2.7 45.1 1.0 HG B:SER121 2.9 45.1 1.0 CB B:SER121 2.9 42.8 1.0 HB3 B:SER121 3.2 45.1 1.0 C22 B:I7R2005 3.2 54.9 1.0 CD B:GLU220 3.3 43.8 1.0 HG3 B:GLU220 3.5 45.1 1.0 H33 B:I7R2005 3.7 45.1 1.0 HD21 B:ASN215 3.7 45.1 1.0 O3 B:I7R2005 3.8 54.9 1.0 CG B:GLU220 3.8 42.6 1.0 H27 B:I7R2005 3.9 45.1 1.0 HB2 B:ALA252 3.9 45.1 1.0 O B:HOH2114 3.9 49.6 1.0 HG2 B:GLU220 4.0 45.1 1.0 OG B:SER123 4.2 48.8 1.0 HB3 B:ALA252 4.3 45.1 1.0 O B:ALA218 4.3 43.5 1.0 H B:SER123 4.4 45.1 1.0 CA B:SER121 4.4 45.0 1.0 OE1 B:GLU220 4.4 39.6 1.0 N6 B:I7R2005 4.4 54.9 1.0 C21 B:I7R2005 4.4 54.9 1.0 ND2 B:ASN215 4.4 51.9 1.0 CB B:ALA252 4.4 44.7 1.0 OD2 B:ASP119 4.5 40.1 1.0 HD22 B:ASN215 4.5 45.1 1.0 OD1 B:ASP251 4.5 47.9 1.0 H B:TYR122 4.5 45.1 1.0 OD1 B:ASP119 4.5 39.7 1.0 O B:HOH2317 4.5 56.0 1.0 HB1 B:ALA252 4.6 45.1 1.0 HG B:SER123 4.6 45.1 1.0 HA B:ALA218 4.6 45.1 1.0 C19 B:I7R2005 4.6 54.9 1.0 C B:SER121 4.8 42.3 1.0 H28 B:I7R2005 4.8 45.1 1.0 N B:TYR122 4.8 46.1 1.0 H B:SER121 4.9 45.1 1.0 HA B:SER121 4.9 45.1 1.0 HB3 B:SER123 4.9 45.1 1.0 CG B:ASP119 5.0 39.6 1.0

Magnesium binding site 2 out of 2 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2001 b:44.9 occ:1.00 O D:HOH2117 2.1 41.7 1.0 O D:HOH2144 2.1 50.6 1.0 O D:HOH2110 2.1 55.8 1.0 OE2 D:GLU220 2.1 60.4 1.0 O2 D:I7R2006 2.1 68.7 1.0 OG D:SER121 2.4 55.2 1.0 HB2 D:SER121 2.6 45.1 1.0 CB D:SER121 2.9 53.2 1.0 HG D:SER121 3.0 45.1 1.0 CD D:GLU220 3.3 63.5 1.0 HB3 D:SER121 3.3 45.1 1.0 C22 D:I7R2006 3.3 68.7 1.0 H33 D:I7R2006 3.4 45.1 1.0 HG3 D:GLU220 3.5 45.1 1.0 HD21 D:ASN215 3.6 45.1 1.0 O D:HOH2211 3.7 57.6 1.0 CG D:GLU220 3.9 53.9 1.0 HG2 D:GLU220 4.0 45.1 1.0 O3 D:I7R2006 4.0 68.7 1.0 O D:HOH2150 4.1 61.8 1.0 H27 D:I7R2006 4.1 45.1 1.0 HB2 D:ALA252 4.1 45.1 1.0 OG D:SER123 4.1 81.0 1.0 N6 D:I7R2006 4.2 68.7 1.0 HD22 D:ASN215 4.3 45.1 1.0 H D:SER123 4.3 45.1 1.0 OE1 D:GLU220 4.3 65.0 1.0 ND2 D:ASN215 4.3 69.4 1.0 HB3 D:ALA252 4.3 45.1 1.0 CA D:SER121 4.3 62.4 1.0 C21 D:I7R2006 4.3 68.7 1.0 O D:ALA218 4.4 57.7 1.0 H D:TYR122 4.4 45.1 1.0 OD2 D:ASP119 4.6 55.3 1.0 OD1 D:ASP119 4.6 55.5 1.0 OD1 D:ASP251 4.6 54.7 1.0 CB D:ALA252 4.6 60.0 1.0 HA D:ALA218 4.6 45.1 1.0 HG D:SER123 4.6 45.1 1.0 C D:SER121 4.7 69.4 1.0 C19 D:I7R2006 4.7 68.7 1.0 N D:TYR122 4.7 72.0 1.0 HB1 D:ALA252 4.8 45.1 1.0 HB3 D:SER123 4.9 45.1 1.0 HA D:SER121 4.9 45.1 1.0 H D:SER121 4.9 45.1 1.0 H28 D:I7R2006 4.9 45.1 1.0 O D:HOH2235 5.0 66.1 1.0

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Bms Compound 4. To Be Published.