Chlorine in PDB 7udh: Integrin ALAPHIIBBETA3 Complex with BMS4-3

The structure of Integrin ALAPHIIBBETA3 Complex with BMS4-3, PDB code: 7udh 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)	48.99 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	258.33, 144.67, 105.06, 90, 90, 90
R / Rfree (%)	18.5 / 21.4

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

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


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 BMS4-3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:108.2 occ:1.00 OE1 C:GLN444 3.9 52.2 1.0 O C:HOH622 4.4 57.0 1.0 CE1 C:PHE411 4.4 40.2 1.0 NE2 C:GLN444 4.4 49.9 1.0 CE2 C:PHE10 4.6 50.0 1.0 CZ C:PHE10 4.6 49.9 1.0 CD2 C:PHE10 4.6 50.4 1.0 CE1 C:PHE10 4.6 47.9 1.0 CD1 C:PHE10 4.6 48.7 1.0 CG C:PHE10 4.6 49.5 1.0 CD C:GLN444 4.6 49.2 1.0 CD1 C:PHE411 4.6 38.9 1.0 O C:HOH670 5.0 55.4 1.0

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


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 BMS4-3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl506 b:130.0 occ:1.00 NE1 C:TRP58 3.1 56.8 1.0 O C:HOH664 3.2 59.7 1.0 CB C:ASP428 3.8 66.4 1.0 CE2 C:TRP58 3.8 53.0 1.0 CZ2 C:TRP58 3.9 53.2 1.0 CD1 C:TRP58 4.2 53.4 1.0 CA C:ASP428 4.4 68.3 1.0 O C:ASP428 4.6 76.5 1.0 NH1 C:ARG449 4.9 57.3 1.0 CB C:ALA60 4.9 57.1 1.0 CG C:ASP428 4.9 67.2 1.0

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


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 BMS4-3 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2005 b:110.8 occ:1.00 O D:HOH2209 2.8 84.2 1.0 O D:HOH2255 3.5 70.9 1.0 O D:HOH2269 3.6 78.2 1.0 OE1 D:GLN106 3.7 80.5 1.0 O D:HOH2173 3.9 66.1 1.0 OE1 D:GLN82 4.1 113.6 1.0 NE D:ARG352 4.1 84.8 1.0 NH2 D:ARG352 4.1 90.8 1.0 CZ D:PHE421 4.2 68.2 1.0 CE1 D:PHE421 4.2 65.5 1.0 CZ D:ARG352 4.3 90.5 1.0 OG D:SER243 4.3 77.5 1.0 CD2 D:TYR110 4.3 69.4 1.0 CE2 D:TYR110 4.3 71.0 1.0 CE2 D:PHE421 4.4 67.9 1.0 CD1 D:PHE421 4.4 65.2 1.0 CD2 D:PHE421 4.6 66.1 1.0 CG D:PHE421 4.7 62.9 1.0 CD D:GLN106 4.7 77.5 1.0 O D:GLY420 4.8 60.2 1.0 CD D:GLN82 4.9 108.9 1.0 CD D:ARG352 4.9 82.0 1.0

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