Chlorine in PDB 7ubr: Integrin ALAPHIIBBETA3 Complex with GR144053

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

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

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

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 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 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

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.