Chlorine in PDB 7u9f: Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 in MN2+

The structure of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 in MN2+, PDB code: 7u9f 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)	46.09 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	259.397, 144.292, 104.923, 90, 90, 90
R / Rfree (%)	21.7 / 23.7

The structure of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 in MN2+ 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 Bms Compound 4 in MN2+ (pdb code 7u9f). 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 Bms Compound 4 in MN2+, PDB code: 7u9f:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 in MN2+


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 Bms Compound 4 in MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:68.6 occ:1.00 OE1 C:GLN444 4.1 47.1 1.0 CE2 C:PHE10 4.5 46.0 1.0 CZ C:PHE10 4.5 45.2 1.0 CD2 C:PHE10 4.5 46.5 1.0 CE1 C:PHE10 4.6 44.7 1.0 CG C:PHE10 4.7 46.1 1.0 CD1 C:PHE10 4.7 45.2 1.0 CE1 C:PHE411 4.8 42.5 1.0 O C:PRO410 4.9 43.0 1.0 CD1 C:PHE411 4.9 42.2 1.0 NE2 C:GLN444 4.9 47.4 1.0 CD C:GLN444 4.9 47.1 1.0

Chlorine binding site 2 out of 2 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 in MN2+


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 Bms Compound 4 in MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2005 b:89.5 occ:1.00 O D:HOH2196 2.8 81.6 1.0 O D:HOH2225 3.6 82.0 1.0 OE1 D:GLN106 3.7 83.7 1.0 OG D:SER243 4.1 76.9 1.0 NE D:ARG352 4.1 82.3 1.0 NH2 D:ARG352 4.4 81.8 1.0 CZ D:ARG352 4.4 81.8 1.0 CD2 D:TYR110 4.4 84.7 1.0 CE2 D:TYR110 4.5 82.6 1.0 CE1 D:PHE421 4.5 79.6 1.0 NE2 D:GLN82 4.5 87.1 1.0 CZ D:PHE421 4.6 80.0 1.0 CD1 D:PHE421 4.7 79.4 1.0 CD D:GLN106 4.7 83.6 1.0 CD D:ARG352 4.8 82.3 1.0 O D:GLY420 4.9 76.5 1.0 CE2 D:PHE421 4.9 80.0 1.0

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Bms Compound 4 in MN2+. To Be Published.