Chlorine in PDB 7udg: Integrin ALAPHIIBBETA3 Complex with Lotrafiban

The structure of Integrin ALAPHIIBBETA3 Complex with Lotrafiban, PDB code: 7udg 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)	49.14 / 2.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	256.76, 144.17, 104.55, 90, 90, 90
R / Rfree (%)	21.3 / 23.5

The structure of Integrin ALAPHIIBBETA3 Complex with Lotrafiban also contains other interesting chemical elements:

Calcium	(Ca)	10 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Chlorine atom in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban (pdb code 7udg). 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 Lotrafiban, PDB code: 7udg:
Jump to Chlorine binding site number: 1; 2; 3;

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


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 Lotrafiban within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:84.5 occ:1.00 CE2 C:PHE10 4.2 62.2 1.0 O C:HOH606 4.2 71.2 1.0 OE1 C:GLN444 4.3 60.6 1.0 CD2 C:PHE10 4.3 61.1 1.0 CZ C:PHE10 4.3 65.5 1.0 O C:HOH670 4.3 62.8 1.0 CE1 C:PHE10 4.6 65.0 1.0 CG C:PHE10 4.6 58.0 1.0 O C:PRO410 4.7 61.7 1.0 CD1 C:PHE10 4.7 62.4 1.0 CE1 C:PHE411 4.8 58.2 1.0 CD1 C:PHE411 4.9 58.8 1.0

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


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 Lotrafiban within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:110.3 occ:1.00 NE1 C:TRP58 3.4 81.1 1.0 O C:ASP428 3.9 77.6 1.0 CB C:ASP428 4.0 81.3 1.0 CD1 C:TRP58 4.1 79.8 1.0 CA C:ASP428 4.2 84.1 1.0 CE2 C:TRP58 4.5 75.3 1.0 C C:ASP428 4.5 85.0 1.0 CZ2 C:TRP58 4.9 75.0 1.0

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


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 Lotrafiban within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2004 b:105.3 occ:1.00 O D:HOH2163 3.0 104.8 1.0 OE1 D:GLN106 3.5 110.1 1.0 OG D:SER243 3.9 104.6 1.0 NE D:ARG352 4.0 106.3 1.0 CE1 D:PHE421 4.0 116.2 1.0 CZ D:PHE421 4.2 118.8 1.0 NH2 D:ARG352 4.2 114.0 1.0 CZ D:ARG352 4.3 109.1 1.0 CD1 D:PHE421 4.3 109.8 1.0 NE2 D:GLN82 4.5 125.0 1.0 CD2 D:TYR110 4.5 120.2 1.0 CE2 D:TYR110 4.5 115.0 1.0 CD D:GLN106 4.5 111.1 1.0 CE2 D:PHE421 4.7 114.6 1.0 NE2 D:GLN106 4.7 110.0 1.0 CD D:ARG352 4.8 105.6 1.0 CG D:PHE421 4.8 104.9 1.0 O D:GLY420 5.0 99.1 1.0 CD2 D:PHE421 5.0 106.0 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.