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Magnesium in PDB 7tpd: Integrin ALAPHIIBBETA3 Complex with EF5154

Protein crystallography data

The structure of Integrin ALAPHIIBBETA3 Complex with EF5154, PDB code: 7tpd 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) 48.32 / 2.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 260.18, 144.34, 104.31, 90, 90, 90
R / Rfree (%) 16.5 / 19.4

Other elements in 7tpd:

The structure of Integrin ALAPHIIBBETA3 Complex with EF5154 also contains other interesting chemical elements:

Calcium (Ca) 12 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Integrin ALAPHIIBBETA3 Complex with EF5154 (pdb code 7tpd). 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 EF5154, PDB code: 7tpd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7tpd

Go back to Magnesium Binding Sites List in 7tpd
Magnesium binding site 1 out of 2 in the Integrin ALAPHIIBBETA3 Complex with EF5154


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 EF5154 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg2001

b:21.8
occ:1.00
O B:HOH2125 2.0 26.6 1.0
OE2 B:GLU220 2.1 28.0 1.0
O B:HOH2144 2.2 26.0 1.0
O26 B:IR72005 2.2 24.4 1.0
OG B:SER121 2.4 26.7 1.0
OG B:SER123 2.4 34.9 0.7
O23 B:IR72005 3.1 23.8 1.0
CB B:SER121 3.2 28.6 1.0
C25 B:IR72005 3.2 20.9 1.0
CD B:GLU220 3.3 27.0 1.0
C24 B:IR72005 3.6 19.9 1.0
CB B:SER123 3.8 36.0 0.3
CG B:GLU220 3.8 21.2 1.0
CB B:SER123 3.8 36.1 0.7
C20 B:IR72005 4.2 20.7 1.0
O27 B:IR72005 4.2 20.3 1.0
N B:SER123 4.3 35.9 1.0
OE1 B:GLU220 4.3 24.8 1.0
OD1 B:ASP251 4.4 26.1 1.0
OG B:SER123 4.4 36.1 0.3
OD2 B:ASP119 4.5 26.9 1.0
CA B:SER121 4.5 24.4 1.0
O B:ALA218 4.5 31.6 1.0
O B:HOH2283 4.6 42.0 1.0
OD1 B:ASP119 4.6 29.0 1.0
CB B:ALA252 4.6 21.1 1.0
C21 B:IR72005 4.6 19.0 1.0
C B:SER121 4.6 25.2 1.0
N B:TYR122 4.7 28.2 1.0
CA B:SER123 4.7 36.4 0.3
CA B:SER123 4.7 36.1 0.7
ND2 B:ASN215 4.9 21.1 1.0
CG B:ASP119 5.0 26.4 1.0

Magnesium binding site 2 out of 2 in 7tpd

Go back to Magnesium Binding Sites List in 7tpd
Magnesium binding site 2 out of 2 in the Integrin ALAPHIIBBETA3 Complex with EF5154


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 EF5154 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg2001

b:34.0
occ:1.00
O26 D:IR72005 2.0 34.8 1.0
O D:HOH2111 2.0 37.0 1.0
O D:HOH2133 2.1 24.6 1.0
OE2 D:GLU220 2.1 39.4 1.0
OG D:SER121 2.4 35.7 1.0
OG D:SER123 2.6 42.8 0.6
O D:HOH2104 2.6 63.3 1.0
C25 D:IR72005 3.0 29.5 1.0
O23 D:IR72005 3.1 31.7 1.0
CB D:SER121 3.2 33.9 1.0
CD D:GLU220 3.3 37.8 1.0
C24 D:IR72005 3.5 23.1 1.0
CG D:GLU220 3.9 33.2 1.0
CB D:SER123 4.0 45.4 0.6
CB D:SER123 4.0 44.3 0.4
O27 D:IR72005 4.0 28.9 1.0
O D:HOH2151 4.1 52.7 1.0
C20 D:IR72005 4.2 27.7 1.0
OE1 D:GLU220 4.3 38.7 1.0
OD2 D:ASP119 4.4 41.6 1.0
N D:SER123 4.4 44.0 1.0
OD1 D:ASP251 4.4 40.4 1.0
CA D:SER121 4.5 38.1 1.0
C21 D:IR72005 4.6 25.9 1.0
O D:ALA218 4.6 34.2 1.0
C D:SER121 4.6 39.3 1.0
OD1 D:ASP119 4.7 41.4 1.0
N D:TYR122 4.7 40.0 1.0
CB D:ALA252 4.7 38.4 1.0
ND2 D:ASN215 4.7 33.1 1.0
O D:HOH2230 4.8 43.7 1.0
CA D:SER123 4.9 43.9 0.6
CA D:SER123 4.9 43.0 0.4
CG D:ASP119 5.0 40.9 1.0

Reference:

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with EF5154 To Be Published.
Page generated: Thu Oct 3 09:23:36 2024

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