Chlorine in PDB 7ubr: Integrin ALAPHIIBBETA3 Complex with GR144053

Protein crystallography data

The structure of Integrin ALAPHIIBBETA3 Complex with GR144053, PDB code: 7ubr 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) 49.26 / 2.05
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 257.89, 144.4, 104.8, 90, 90, 90
R / Rfree (%) 20.9 / 22.3

Other elements in 7ubr:

The structure of Integrin ALAPHIIBBETA3 Complex with GR144053 also contains other interesting chemical elements:

Manganese (Mn) 6 atoms
Calcium (Ca) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Integrin ALAPHIIBBETA3 Complex with GR144053 (pdb code 7ubr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Integrin ALAPHIIBBETA3 Complex with GR144053, PDB code: 7ubr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7ubr

Go back to Chlorine Binding Sites List in 7ubr
Chlorine binding site 1 out of 2 in the Integrin ALAPHIIBBETA3 Complex with GR144053


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 GR144053 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:80.2
occ:1.00
OE1 C:GLN444 4.1 50.0 1.0
CE2 C:PHE10 4.4 45.3 1.0
CZ C:PHE10 4.4 45.2 1.0
CD2 C:PHE10 4.5 45.0 1.0
CE1 C:PHE10 4.5 43.6 1.0
CG C:PHE10 4.6 46.0 1.0
CD1 C:PHE10 4.6 41.2 1.0
CE1 C:PHE411 4.6 43.6 1.0
O C:HOH666 4.7 45.4 1.0
CD1 C:PHE411 4.7 40.3 1.0
NE2 C:GLN444 4.7 43.9 1.0
O C:HOH651 4.7 56.7 1.0
CD C:GLN444 4.8 48.6 1.0

Chlorine binding site 2 out of 2 in 7ubr

Go back to Chlorine Binding Sites List in 7ubr
Chlorine binding site 2 out of 2 in the Integrin ALAPHIIBBETA3 Complex with GR144053


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 GR144053 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2005

b:84.6
occ:1.00
O D:HOH2222 3.5 71.0 1.0
O D:HOH2243 3.6 73.0 1.0
OE1 D:GLN106 3.7 77.7 1.0
O D:HOH2182 3.9 75.7 1.0
CE1 D:PHE421 4.1 76.5 1.0
NE D:ARG352 4.1 74.1 1.0
OG D:SER243 4.2 65.7 1.0
CZ D:PHE421 4.2 72.9 1.0
NE2 D:GLN82 4.3 90.1 1.0
CD1 D:PHE421 4.4 73.8 1.0
NH2 D:ARG352 4.4 75.6 1.0
CD2 D:TYR110 4.5 75.0 1.0
CE2 D:TYR110 4.5 73.5 1.0
CZ D:ARG352 4.5 76.5 1.0
O D:GLY420 4.6 70.4 1.0
CE2 D:PHE421 4.6 70.6 1.0
CD D:GLN106 4.7 72.6 1.0
CG D:PHE421 4.7 70.0 1.0
CD2 D:PHE421 4.9 69.6 1.0
CD D:ARG352 4.9 76.5 1.0
NE2 D:GLN106 4.9 72.8 1.0

Reference:

J.Zhu, A.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Bms Compound 4. To Be Published.
Page generated: Tue Jul 30 04:59:13 2024

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