Chlorine in PDB 7u9v: Integrin ALAPHIIBBETA3 Complex with BMS4-1

The structure of Integrin ALAPHIIBBETA3 Complex with BMS4-1, PDB code: 7u9v 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)	44.95 / 2.25
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	257.796, 143.887, 104.678, 90, 90, 90
R / Rfree (%)	20.3 / 22.6

The structure of Integrin ALAPHIIBBETA3 Complex with BMS4-1 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 BMS4-1 (pdb code 7u9v). 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 BMS4-1, PDB code: 7u9v:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Integrin ALAPHIIBBETA3 Complex with BMS4-1


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 BMS4-1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:85.3 occ:1.00 OE1 C:GLN444 4.2 49.5 1.0 CZ C:PHE10 4.5 45.0 1.0 CE1 C:PHE10 4.5 46.4 1.0 CE2 C:PHE10 4.5 45.9 1.0 CE1 C:PHE411 4.5 40.6 1.0 CD1 C:PHE411 4.6 41.5 1.0 O C:HOH662 4.6 54.7 1.0 O C:PRO410 4.6 46.0 1.0 CD1 C:PHE10 4.7 42.0 1.0 CD2 C:PHE10 4.7 45.1 1.0 CG C:PHE10 4.7 50.9 1.0 NE2 C:GLN444 4.7 45.1 1.0 O C:HOH626 4.9 48.2 1.0 CD C:GLN444 4.9 48.8 1.0

Chlorine binding site 2 out of 3 in the Integrin ALAPHIIBBETA3 Complex with BMS4-1


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 BMS4-1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:93.5 occ:1.00 NE1 C:TRP58 3.3 63.2 1.0 O C:HOH712 3.3 60.0 1.0 CE2 C:TRP58 4.1 60.5 1.0 CB C:ASP428 4.2 62.9 1.0 CD1 C:TRP58 4.3 62.1 1.0 CZ2 C:TRP58 4.3 58.3 1.0 O C:ASP428 4.8 72.0 1.0 CA C:ASP428 4.8 66.1 1.0 CB C:ALA60 4.9 58.7 1.0

Chlorine binding site 3 out of 3 in the Integrin ALAPHIIBBETA3 Complex with BMS4-1


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 BMS4-1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2005 b:91.8 occ:1.00 O D:HOH2227 3.2 72.5 1.0 OE1 D:GLN106 3.7 81.0 1.0 O D:HOH2217 3.8 71.3 1.0 OG D:SER243 4.1 71.2 1.0 NE D:ARG352 4.1 70.8 1.0 CE1 D:PHE421 4.3 81.9 1.0 NE2 D:GLN82 4.3 100.3 1.0 CZ D:PHE421 4.4 79.9 1.0 NH2 D:ARG352 4.4 77.3 1.0 CD2 D:TYR110 4.4 79.7 1.0 CZ D:ARG352 4.5 75.8 1.0 CE2 D:TYR110 4.5 77.5 1.0 CD1 D:PHE421 4.5 78.3 1.0 CE2 D:PHE421 4.7 76.5 1.0 CD D:GLN106 4.7 82.0 1.0 O D:GLY420 4.8 68.2 1.0 CG D:PHE421 4.8 70.2 1.0 CD D:ARG352 4.8 72.9 1.0 CD2 D:PHE421 4.9 71.6 1.0 NE2 D:GLN106 5.0 81.3 1.0

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with BMS4-1 To Be Published.