Chlorine in PDB 7ue0: Integrin ALAPHIIBBETA3 Complex with Fradafiban

Protein crystallography data

The structure of Integrin ALAPHIIBBETA3 Complex with Fradafiban, PDB code: 7ue0 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) 42.82 / 2.74
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 258.282, 145.023, 104.986, 90, 90, 90
R / Rfree (%) 22.5 / 25.3

Other elements in 7ue0:

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

Magnesium (Mg) 2 atoms
Calcium (Ca) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Integrin ALAPHIIBBETA3 Complex with Fradafiban (pdb code 7ue0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Integrin ALAPHIIBBETA3 Complex with Fradafiban, PDB code: 7ue0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7ue0

Go back to Chlorine Binding Sites List in 7ue0
Chlorine binding site 1 out of 4 in the Integrin ALAPHIIBBETA3 Complex with Fradafiban


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Integrin ALAPHIIBBETA3 Complex with Fradafiban within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2006

b:88.9
occ:1.00
OE1 B:GLN106 3.6 86.2 1.0
OG B:SER243 3.7 71.3 1.0
NE B:ARG352 4.0 82.0 1.0
NH2 B:ARG352 4.2 82.5 1.0
CE2 B:TYR110 4.2 78.0 1.0
CD2 B:TYR110 4.2 79.1 1.0
CZ B:ARG352 4.4 82.1 1.0
CE1 B:PHE421 4.5 85.3 1.0
O B:GLY420 4.5 81.3 1.0
CD1 B:PHE421 4.6 85.1 1.0
CZ B:PHE421 4.6 86.3 1.0
OE1 B:GLN82 4.7 91.6 1.0
CD B:GLN106 4.7 86.9 1.0
CD B:ARG352 4.9 81.6 1.0
CG B:PHE421 4.9 85.9 1.0
CB B:SER243 4.9 69.0 1.0
CE2 B:PHE421 5.0 87.1 1.0

Chlorine binding site 2 out of 4 in 7ue0

Go back to Chlorine Binding Sites List in 7ue0
Chlorine binding site 2 out of 4 in the Integrin ALAPHIIBBETA3 Complex with Fradafiban


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Integrin ALAPHIIBBETA3 Complex with Fradafiban within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:80.0
occ:1.00
NE2 C:GLN444 4.2 59.5 1.0
CZ C:PHE10 4.5 59.3 1.0
CE2 C:PHE10 4.5 60.6 1.0
CE1 C:PHE10 4.5 58.3 1.0
OE1 C:GLN444 4.6 60.3 1.0
CD2 C:PHE10 4.6 61.0 1.0
CD1 C:PHE10 4.6 58.6 1.0
CE1 C:PHE411 4.6 58.3 1.0
CG C:PHE10 4.6 60.0 1.0
CD1 C:PHE411 4.7 58.2 1.0
CD C:GLN444 4.9 60.2 1.0
O C:PRO410 4.9 59.7 1.0

Chlorine binding site 3 out of 4 in 7ue0

Go back to Chlorine Binding Sites List in 7ue0
Chlorine binding site 3 out of 4 in the Integrin ALAPHIIBBETA3 Complex with Fradafiban


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Integrin ALAPHIIBBETA3 Complex with Fradafiban within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl508

b:87.8
occ:1.00
O C:ALA89 3.8 72.5 1.0
ND1 C:HIS112 4.0 72.0 1.0
CE1 C:HIS112 4.0 71.8 1.0
NE2 C:HIS112 4.5 72.4 1.0
CG C:HIS112 4.5 72.7 1.0
CD2 C:HIS112 4.7 73.0 1.0
CD1 D:ILE167 4.7 78.8 1.0
C C:ALA89 4.8 73.0 1.0
CE C:LYS124 4.9 77.3 1.0
CB C:ARG90 4.9 75.1 1.0
NZ C:LYS124 5.0 77.9 1.0

Chlorine binding site 4 out of 4 in 7ue0

Go back to Chlorine Binding Sites List in 7ue0
Chlorine binding site 4 out of 4 in the Integrin ALAPHIIBBETA3 Complex with Fradafiban


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Integrin ALAPHIIBBETA3 Complex with Fradafiban within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2006

b:103.0
occ:1.00
CE2 D:TYR110 3.7 93.5 1.0
CD2 D:TYR110 3.8 93.3 1.0
OG D:SER243 3.8 87.1 1.0
NE2 D:GLN82 4.2 99.5 1.0
NE D:ARG352 4.2 95.0 1.0
OE1 D:GLN106 4.2 94.3 1.0
NH2 D:ARG352 4.3 95.6 1.0
CZ D:ARG352 4.4 95.1 1.0
CZ D:TYR110 4.6 95.7 1.0
CG D:TYR110 4.6 95.3 1.0
CE1 D:PHE421 4.7 92.3 1.0
CZ D:PHE421 4.8 91.6 1.0
CD1 D:PHE421 4.9 93.5 1.0
O D:GLY420 4.9 94.1 1.0
CE2 D:PHE421 4.9 92.3 1.0
CD D:ARG352 5.0 94.5 1.0

Reference:

F.-Y.Lin, J.Zhu, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece Complex with Fradafiban To Be Published.
Page generated: Tue Apr 4 21:59:10 2023

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