Chlorine in PDB 7uh8: Integrin ALAPHIIBBETA3 Complex with Roxifiban (Mn/Ca)

The structure of Integrin ALAPHIIBBETA3 Complex with Roxifiban (Mn/Ca), PDB code: 7uh8 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)	49.25 / 2.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	258.69, 144.04, 104.81, 90, 90, 90
R / Rfree (%)	22.9 / 24.8

The structure of Integrin ALAPHIIBBETA3 Complex with Roxifiban (Mn/Ca) also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Integrin ALAPHIIBBETA3 Complex with Roxifiban (Mn/Ca) (pdb code 7uh8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Integrin ALAPHIIBBETA3 Complex with Roxifiban (Mn/Ca), PDB code: 7uh8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Integrin ALAPHIIBBETA3 Complex with Roxifiban (Mn/Ca)


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 Roxifiban (Mn/Ca) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:76.5 occ:1.00 O C:HOH613 4.2 55.3 1.0 OE1 C:GLN444 4.3 55.8 1.0 CE2 C:PHE10 4.5 56.0 1.0 CD2 C:PHE10 4.6 56.2 1.0 CZ C:PHE10 4.6 55.4 1.0 O C:PRO410 4.8 50.9 1.0 CE1 C:PHE10 4.8 54.8 1.0 CG C:PHE10 4.8 55.7 1.0 CD1 C:PHE10 4.9 55.0 1.0

Chlorine binding site 2 out of 3 in the Integrin ALAPHIIBBETA3 Complex with Roxifiban (Mn/Ca)


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 Roxifiban (Mn/Ca) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:93.0 occ:1.00 O C:HOH617 3.6 72.2 1.0 NE1 C:TRP58 3.9 71.6 1.0 CB C:ASP428 4.0 71.5 1.0 CZ2 C:TRP58 4.2 68.7 1.0 NH1 C:ARG449 4.3 67.4 1.0 CB C:ALA60 4.4 70.2 1.0 CE2 C:TRP58 4.4 69.5 1.0 OD2 C:ASP428 4.7 71.2 1.0 O C:ASP428 4.8 76.7 1.0 CG C:ASP428 4.9 71.2 1.0 CA C:ASP428 4.9 72.7 1.0

Chlorine binding site 3 out of 3 in the Integrin ALAPHIIBBETA3 Complex with Roxifiban (Mn/Ca)


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 Roxifiban (Mn/Ca) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2005 b:99.2 occ:1.00 OG D:SER243 3.6 94.9 1.0 CE2 D:TYR110 3.8 97.9 1.0 CD2 D:TYR110 3.9 100.2 1.0 NE2 D:GLN82 4.0 108.3 1.0 OE1 D:GLN106 4.0 102.7 1.0 NE D:ARG352 4.3 100.2 1.0 NH2 D:ARG352 4.4 99.8 1.0 CE1 D:PHE421 4.5 99.0 1.0 CZ D:ARG352 4.5 99.8 1.0 CZ D:PHE421 4.6 98.8 1.0 CD1 D:PHE421 4.6 99.0 1.0 O D:GLY420 4.7 94.8 1.0 CZ D:TYR110 4.7 97.5 1.0 CG D:TYR110 4.9 102.2 1.0 CE2 D:PHE421 4.9 98.4 1.0 CD D:GLN82 4.9 107.1 1.0 CG D:PHE421 4.9 98.7 1.0 CB D:SER243 4.9 93.4 1.0 CD D:GLN106 5.0 102.6 1.0

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Roxifiban To Be Published.