Chlorine in PDB 7tmz: Integrin ALAPHIIBBETA3 Complex with Bms Compound 4

The structure of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4, PDB code: 7tmz was solved by J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.38 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	258.89, 144.21, 105.12, 90, 90, 90
R / Rfree (%)	21.4 / 24.1

The structure of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 also contains other interesting chemical elements:

Calcium	(Ca)	12 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Chlorine atom in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 (pdb code 7tmz). 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 Bms Compound 4, PDB code: 7tmz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:78.4 occ:1.00 OE1 C:GLN444 4.1 63.1 1.0 HE1 C:PHE411 4.2 45.1 1.0 CE2 C:PHE10 4.3 44.1 1.0 HE22 C:GLN444 4.3 45.1 1.0 CD2 C:PHE10 4.4 47.5 1.0 HD1 C:PHE411 4.4 45.1 1.0 CZ C:PHE10 4.4 50.1 1.0 HE2 C:PHE10 4.5 45.1 1.0 CG C:PHE10 4.6 50.4 1.0 CE1 C:PHE10 4.6 49.0 1.0 HD2 C:PHE10 4.6 45.1 1.0 CD1 C:PHE10 4.7 44.0 1.0 HB2 C:PRO410 4.7 45.1 1.0 HZ C:PHE10 4.7 45.1 1.0 CE1 C:PHE411 4.7 43.2 1.0 CD1 C:PHE411 4.8 45.2 1.0 NE2 C:GLN444 5.0 62.6 1.0 CD C:GLN444 5.0 59.6 1.0

Chlorine binding site 2 out of 3 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:98.8 occ:1.00 HE1 C:TRP58 2.2 45.1 1.0 NE1 C:TRP58 3.0 69.2 1.0 HB2 C:ASP428 3.2 45.1 1.0 O C:HOH682 3.4 60.3 1.0 HZ2 C:TRP58 3.5 45.1 1.0 CE2 C:TRP58 3.9 56.2 1.0 HA C:ASP428 3.9 45.1 1.0 CB C:ASP428 4.0 67.4 1.0 HB3 C:ASP428 4.0 45.1 1.0 HB2 C:ALA60 4.1 45.1 1.0 CD1 C:TRP58 4.1 66.5 1.0 CZ2 C:TRP58 4.1 58.6 1.0 HD1 C:TRP58 4.2 45.1 1.0 CA C:ASP428 4.5 68.0 1.0 HH11 C:ARG449 4.6 45.1 1.0 O C:ASP428 4.6 73.0 1.0 H C:ALA60 5.0 45.1 1.0

Chlorine binding site 3 out of 3 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2005 b:99.7 occ:1.00 HE D:ARG352 3.6 45.1 1.0 OE1 D:GLN106 3.7 87.0 1.0 HE22 D:GLN82 3.8 45.1 1.0 OG D:SER243 3.9 79.0 1.0 HG D:SER243 3.9 45.1 1.0 NE D:ARG352 3.9 93.5 1.0 HH21 D:ARG352 4.0 45.1 1.0 HD2 D:TYR110 4.2 45.1 1.0 HG2 D:ARG352 4.2 45.1 1.0 NH2 D:ARG352 4.3 117.0 1.0 HE2 D:TYR110 4.3 45.1 1.0 CZ D:ARG352 4.3 102.9 1.0 CE1 D:PHE421 4.4 103.0 1.0 NE2 D:GLN82 4.4 119.5 1.0 HD2 D:ARG352 4.4 45.1 1.0 CD2 D:TYR110 4.4 101.7 1.0 HE1 D:PHE421 4.5 45.1 1.0 CE2 D:TYR110 4.5 97.6 1.0 HA D:PHE421 4.5 45.1 1.0 CZ D:PHE421 4.6 103.0 1.0 HE22 D:GLN106 4.6 45.1 1.0 HE21 D:GLN82 4.6 45.1 1.0 CD1 D:PHE421 4.6 97.4 1.0 CD D:ARG352 4.6 91.3 1.0 HZ D:PHE421 4.8 45.1 1.0 CD D:GLN106 4.8 87.5 1.0 HH22 D:ARG352 4.8 45.1 1.0 HD1 D:PHE421 4.9 45.1 1.0 CG D:ARG352 4.9 89.5 1.0 O D:GLY420 4.9 84.2 1.0 CE2 D:PHE421 5.0 95.6 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. To Be Published.