Chlorine in PDB 7ufh: Integrin ALAPHIIBBETA3 Complex with Fradafiban (Mn/Ca)

The structure of Integrin ALAPHIIBBETA3 Complex with Fradafiban (Mn/Ca), PDB code: 7ufh 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)	42.05 / 3.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	258.581, 144.453, 104.764, 90, 90, 90
R / Rfree (%)	22.5 / 24.5

The structure of Integrin ALAPHIIBBETA3 Complex with Fradafiban (Mn/Ca) 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 Fradafiban (Mn/Ca) (pdb code 7ufh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Integrin ALAPHIIBBETA3 Complex with Fradafiban (Mn/Ca), PDB code: 7ufh:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Integrin ALAPHIIBBETA3 Complex with Fradafiban (Mn/Ca)


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 Fradafiban (Mn/Ca) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2006 b:92.2 occ:1.00 OG B:SER243 3.3 77.8 1.0 OE1 B:GLN106 3.8 94.2 1.0 NE B:ARG352 4.1 89.6 1.0 NH2 B:ARG352 4.3 90.5 1.0 O B:GLY420 4.3 91.9 1.0 CE2 B:TYR110 4.3 86.6 1.0 CD2 B:TYR110 4.4 88.0 1.0 CZ B:ARG352 4.5 90.0 1.0 CE1 B:PHE421 4.5 97.2 1.0 CB B:SER243 4.6 75.9 1.0 CD1 B:PHE421 4.6 96.5 1.0 CZ B:PHE421 4.8 98.1 1.0 OE1 B:GLN82 4.9 103.6 1.0 CG B:PHE421 4.9 96.7 1.0 CD B:ARG352 5.0 89.0 1.0 C B:GLY420 5.0 92.4 1.0 CD B:GLN106 5.0 95.2 1.0

Chlorine binding site 2 out of 4 in the Integrin ALAPHIIBBETA3 Complex with Fradafiban (Mn/Ca)


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 Fradafiban (Mn/Ca) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl503 b:70.0 occ:1.00 CE2 C:PHE10 4.3 63.8 1.0 CZ C:PHE10 4.3 62.9 1.0 O C:PRO410 4.3 61.1 1.0 CE1 C:PHE411 4.4 61.0 1.0 CD2 C:PHE10 4.4 64.3 1.0 NE2 C:GLN444 4.5 63.8 1.0 CD1 C:PHE411 4.5 60.6 1.0 CE1 C:PHE10 4.5 62.6 1.0 CG C:PHE10 4.7 64.0 1.0 CD1 C:PHE10 4.7 63.1 1.0 OE1 C:GLN444 4.8 63.3 1.0

Chlorine binding site 3 out of 4 in the Integrin ALAPHIIBBETA3 Complex with Fradafiban (Mn/Ca)


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 Fradafiban (Mn/Ca) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl509 b:85.9 occ:1.00 CE1 C:HIS112 3.6 80.8 1.0 O C:ALA89 3.7 79.3 1.0 ND1 C:HIS112 3.7 80.9 1.0 NE2 C:HIS112 4.2 82.1 1.0 CG C:HIS112 4.4 82.2 1.0 CD2 C:HIS112 4.6 82.9 1.0 CB C:ARG90 4.6 80.9 1.0 C C:ALA89 4.7 79.2 1.0 CD C:ARG90 4.8 82.9 1.0 CD1 D:ILE167 4.9 85.0 1.0

Chlorine binding site 4 out of 4 in the Integrin ALAPHIIBBETA3 Complex with Fradafiban (Mn/Ca)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Integrin ALAPHIIBBETA3 Complex with Fradafiban (Mn/Ca) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2006 b:112.6 occ:1.00 CE2 D:TYR110 3.7 119.5 1.0 CD2 D:TYR110 3.8 121.0 1.0 OG D:SER243 3.8 116.7 1.0 NE2 D:GLN82 4.1 128.6 1.0 OE1 D:GLN106 4.4 119.4 1.0 CZ D:TYR110 4.6 120.8 1.0 NE D:ARG352 4.6 117.6 1.0 NH2 D:ARG352 4.6 116.9 1.0 CZ D:ARG352 4.7 117.4 1.0 CE1 D:PHE421 4.7 120.2 1.0 CZ D:PHE421 4.7 121.3 1.0 CD1 D:PHE421 4.8 118.2 1.0 CE2 D:PHE421 4.8 120.4 1.0 CG D:TYR110 4.8 123.6 1.0 O D:GLY420 4.8 111.1 1.0 CG D:PHE421 4.9 117.3 1.0 CD2 D:PHE421 4.9 118.4 1.0 CD D:GLN82 4.9 127.1 1.0 OE1 D:GLN82 5.0 124.8 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.