Chlorine in PDB 7uje: Integrin ALAPHIIBBETA3 Complex with UR2922 in MN2+

The structure of Integrin ALAPHIIBBETA3 Complex with UR2922 in MN2+, PDB code: 7uje 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)	48.74 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	259.56, 143.71, 105.17, 90, 90, 90
R / Rfree (%)	20.9 / 23.9

The structure of Integrin ALAPHIIBBETA3 Complex with UR2922 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 UR2922 in MN2+ (pdb code 7uje). 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 UR2922 in MN2+, PDB code: 7uje:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Integrin ALAPHIIBBETA3 Complex with UR2922 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 UR2922 in MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:71.5 occ:1.00 OE1 C:GLN444 4.0 67.5 1.0 CE2 C:PHE10 4.3 63.9 1.0 CD2 C:PHE10 4.3 60.9 1.0 CZ C:PHE10 4.3 66.5 1.0 CG C:PHE10 4.5 59.5 1.0 CE1 C:PHE10 4.5 58.9 1.0 CD1 C:PHE10 4.5 53.6 1.0 NE2 C:GLN444 4.8 68.2 1.0 CD C:GLN444 4.8 60.4 1.0 CE1 C:PHE411 4.9 44.0 1.0 O C:HOH690 4.9 69.5 1.0 CD1 C:PHE411 5.0 42.8 1.0

Chlorine binding site 2 out of 3 in the Integrin ALAPHIIBBETA3 Complex with UR2922 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 UR2922 in MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:115.4 occ:1.00 NE1 C:TRP58 3.8 74.7 1.0 CD1 C:TRP58 4.1 81.1 1.0 N C:ALA60 4.4 68.8 1.0 O C:TRP58 4.5 70.1 1.0 CE2 C:TRP58 4.6 70.0 1.0 CB C:ALA60 4.8 71.4 1.0 CA C:ARG59 4.9 75.2 1.0

Chlorine binding site 3 out of 3 in the Integrin ALAPHIIBBETA3 Complex with UR2922 in MN2+


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 UR2922 in MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2005 b:90.9 occ:1.00 O D:HOH2161 3.8 84.8 1.0 OE1 D:GLN106 3.8 90.1 1.0 OG D:SER243 4.1 85.7 1.0 NE2 D:GLN82 4.3 103.7 1.0 NE D:ARG352 4.3 93.5 1.0 CD2 D:TYR110 4.4 81.4 1.0 CE2 D:TYR110 4.5 74.6 1.0 NH2 D:ARG352 4.5 84.3 1.0 CZ D:PHE421 4.6 72.7 1.0 CE1 D:PHE421 4.6 76.5 1.0 CZ D:ARG352 4.6 92.2 1.0 O D:GLY420 4.7 85.2 1.0 CE2 D:PHE421 4.7 72.5 1.0 CD1 D:PHE421 4.8 72.4 1.0 CD D:GLN106 4.8 84.5 1.0 CD2 D:PHE421 5.0 72.3 1.0 CD D:ARG352 5.0 97.2 1.0

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with UR2922 in MN2+. To Be Published.