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Magnesium in PDB 7ujk: Integrin ALAPHIIBBETA3 Complex with Lamifiban

Protein crystallography data

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

Resolution Low / High (Å) 48.78 / 2.43
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 259.379, 145.247, 105.288, 90, 90, 90
R / Rfree (%) 22.1 / 24.7

Other elements in 7ujk:

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

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

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 2 in 7ujk

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


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

b:28.1
occ:1.00
OE2 B:GLU220 2.0 35.8 1.0
O B:HOH2106 2.1 40.9 1.0
O10 B:NB92005 2.1 38.4 1.0
OG B:SER121 2.1 37.0 1.0
O B:HOH2123 2.1 34.8 1.0
O B:HOH2165 2.2 33.3 1.0
CB B:SER121 2.8 36.8 1.0
CD B:GLU220 3.2 35.1 1.0
C09 B:NB92005 3.3 38.4 1.0
CG B:GLU220 3.9 34.9 1.0
O11 B:NB92005 3.9 38.4 1.0
OG B:SER123 4.0 41.8 1.0
CA B:SER121 4.2 37.1 1.0
OE1 B:GLU220 4.2 34.8 1.0
O07 B:NB92005 4.4 38.4 1.0
C06 B:NB92005 4.4 38.4 1.0
OD2 B:ASP119 4.4 35.4 1.0
N B:TYR122 4.4 41.0 1.0
C08 B:NB92005 4.5 38.4 1.0
ND2 B:ASN215 4.5 36.5 1.0
C B:SER121 4.5 38.1 1.0
OD1 B:ASP119 4.6 35.3 1.0
OD1 B:ASP251 4.6 38.9 1.0
O B:ALA218 4.6 34.0 1.0
C01 B:NB92005 4.7 38.4 1.0
N B:SER123 4.8 42.3 1.0
CB B:ALA252 4.8 36.7 1.0
CB B:SER123 4.9 42.8 1.0
CG B:ASP119 4.9 35.3 1.0
N B:SER121 5.0 36.8 1.0

Magnesium binding site 2 out of 2 in 7ujk

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


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

b:40.4
occ:1.00
OE2 D:GLU220 2.1 44.1 1.0
O10 D:NB92005 2.1 48.5 1.0
O D:HOH2125 2.1 44.1 1.0
OG D:SER121 2.1 45.8 1.0
O D:HOH2147 2.1 40.9 1.0
O D:HOH2122 2.1 48.1 1.0
CB D:SER121 2.7 45.9 1.0
CD D:GLU220 3.2 43.3 1.0
C09 D:NB92005 3.4 48.5 1.0
CG D:GLU220 3.9 42.9 1.0
O11 D:NB92005 4.0 48.5 1.0
OG D:SER123 4.1 49.1 1.0
CA D:SER121 4.2 46.7 1.0
O07 D:NB92005 4.2 48.5 1.0
OE1 D:GLU220 4.2 43.1 1.0
OD2 D:ASP119 4.3 43.8 1.0
C08 D:NB92005 4.4 48.5 1.0
C06 D:NB92005 4.4 48.5 1.0
OD1 D:ASP119 4.4 44.3 1.0
C D:SER121 4.6 47.9 1.0
N D:TYR122 4.6 50.0 1.0
OD1 D:ASP251 4.6 45.3 1.0
ND2 D:ASN215 4.6 45.3 1.0
O D:HOH2216 4.6 45.9 1.0
O D:ALA218 4.6 41.6 1.0
C01 D:NB92005 4.8 48.5 1.0
CG D:ASP119 4.8 44.1 1.0
CB D:ALA252 4.8 43.8 1.0
N D:SER121 4.9 46.5 1.0
N D:SER123 4.9 50.3 1.0

Reference:

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Lamifiban To Be Published.
Page generated: Thu Oct 3 10:05:39 2024

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