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Magnesium in PDB 7tct: Integrin ALAPHIIBBETA3 Complex with UR2922

Protein crystallography data

The structure of Integrin ALAPHIIBBETA3 Complex with UR2922, PDB code: 7tct 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) 49.28 / 2.50
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 259.16, 143.84, 104.91, 90, 90, 90
R / Rfree (%) 19.5 / 22.7

Other elements in 7tct:

The structure of Integrin ALAPHIIBBETA3 Complex with UR2922 also contains other interesting chemical elements:

Calcium (Ca) 12 atoms
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Integrin ALAPHIIBBETA3 Complex with UR2922 (pdb code 7tct). 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 UR2922, PDB code: 7tct:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7tct

Go back to Magnesium Binding Sites List in 7tct
Magnesium binding site 1 out of 2 in the Integrin ALAPHIIBBETA3 Complex with UR2922


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 UR2922 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg2001

b:22.0
occ:1.00
OE2 B:GLU220 2.0 36.6 1.0
O32 B:I1F2005 2.1 27.7 1.0
O B:HOH2109 2.1 36.9 1.0
OG B:SER121 2.1 37.0 1.0
O B:HOH2143 2.1 19.1 1.0
O B:HOH2140 2.2 34.0 1.0
CB B:SER121 2.7 25.4 1.0
CD B:GLU220 3.2 35.4 1.0
C31 B:I1F2005 3.3 39.2 1.0
CG B:GLU220 3.8 27.1 1.0
O33 B:I1F2005 3.9 38.2 1.0
ND2 B:ASN215 4.1 25.1 1.0
N28 B:I1F2005 4.1 40.5 1.0
OG B:SER123 4.1 34.3 1.0
CA B:SER121 4.2 31.4 1.0
OE1 B:GLU220 4.2 29.9 1.0
OD2 B:ASP119 4.3 34.2 1.0
OD1 B:ASP119 4.3 35.6 1.0
N29 B:I1F2005 4.4 41.9 1.0
C30 B:I1F2005 4.4 33.9 1.0
N B:TYR122 4.5 29.6 1.0
C B:SER121 4.6 33.5 1.0
OD1 B:ASP251 4.7 32.6 1.0
O B:ALA218 4.7 39.4 1.0
CG B:ASP119 4.7 35.7 1.0
C27 B:I1F2005 4.9 44.9 1.0
CB B:ALA252 4.9 23.1 1.0
N B:SER121 4.9 34.1 1.0
N B:SER123 5.0 36.2 1.0

Magnesium binding site 2 out of 2 in 7tct

Go back to Magnesium Binding Sites List in 7tct
Magnesium binding site 2 out of 2 in the Integrin ALAPHIIBBETA3 Complex with UR2922


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 UR2922 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg2001

b:23.7
occ:1.00
OE2 D:GLU220 2.1 54.4 1.0
O32 D:I1F2005 2.1 38.8 1.0
O D:HOH2110 2.1 32.1 1.0
OG D:SER121 2.2 46.2 1.0
O D:HOH2158 2.2 26.7 1.0
O D:HOH2213 2.2 25.1 1.0
CB D:SER121 2.8 39.8 1.0
CD D:GLU220 3.2 57.0 1.0
C31 D:I1F2005 3.3 42.0 1.0
CG D:GLU220 3.7 48.1 1.0
O33 D:I1F2005 3.9 41.6 1.0
N28 D:I1F2005 4.1 43.2 1.0
OG D:SER123 4.1 50.2 1.0
OE1 D:GLU220 4.3 53.5 1.0
CA D:SER121 4.3 42.7 1.0
OD2 D:ASP119 4.3 40.7 1.0
ND2 D:ASN215 4.3 39.8 1.0
N29 D:I1F2005 4.4 38.1 1.0
OD1 D:ASP119 4.4 41.8 1.0
C30 D:I1F2005 4.4 36.2 1.0
O D:ALA218 4.6 33.2 1.0
CB D:ALA252 4.7 33.3 1.0
C D:SER121 4.7 41.3 1.0
N D:TYR122 4.7 48.7 1.0
OD1 D:ASP251 4.7 39.0 1.0
O D:HOH2257 4.8 43.8 1.0
C27 D:I1F2005 4.8 33.4 1.0
CG D:ASP119 4.8 43.6 1.0

Reference:

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with UR2922 To Be Published.
Page generated: Thu Oct 3 09:05:12 2024

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