Chlorine in PDB 7rj9: Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium

The structure of Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium, PDB code: 7rj9 was solved by A.E.Aleshin, F.M.Marassi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.69 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.832, 125.575, 40.883, 90, 119.25, 90
R / Rfree (%)	17.1 / 21

The structure of Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium (pdb code 7rj9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium, PDB code: 7rj9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:13.9 occ:1.00 NA A:NA503 2.8 11.9 1.0 N A:ALA349 3.4 13.2 1.0 N A:ALA257 3.5 12.2 1.0 N A:ALA209 3.5 12.9 1.0 N A:PHE164 3.5 15.0 1.0 O A:ALA349 3.5 15.4 1.0 O A:ALA257 3.6 13.9 1.0 CA A:ALA163 3.6 14.8 1.0 CA A:ALA256 3.7 12.4 1.0 CA A:ALA208 3.7 14.1 1.0 O A:ALA209 3.7 12.5 1.0 O A:PHE164 3.8 17.4 1.0 CA A:ALA348 3.8 14.0 1.0 CB A:ALA163 3.8 15.2 1.0 CB A:ALA256 4.0 12.6 1.0 CB A:ALA208 4.1 15.0 1.0 C A:ALA348 4.1 13.4 1.0 C A:ALA256 4.1 11.8 1.0 CB A:ALA348 4.1 14.4 1.0 C A:ALA163 4.1 15.5 1.0 C A:ALA208 4.1 13.1 1.0 C A:ALA349 4.4 15.7 1.0 CA A:ALA349 4.4 14.3 1.0 CA A:ALA257 4.5 12.2 1.0 C A:ALA257 4.5 12.8 1.0 CA A:ALA209 4.5 13.5 1.0 C A:PHE164 4.6 16.9 1.0 CA A:PHE164 4.6 17.1 1.0 C A:ALA209 4.6 13.7 1.0 O A:ASP207 4.7 13.5 1.0 O A:ASP162 4.7 17.0 1.0 CB A:ALA349 4.9 14.6 1.0 N A:ALA163 4.9 15.6 1.0 O A:ASP255 4.9 15.3 1.0 N A:ALA208 4.9 14.3 1.0 CB A:ALA209 5.0 14.4 1.0 N A:ALA256 5.0 12.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:12.9 occ:1.00 NA B:NA503 2.9 11.3 1.0 N B:ALA209 3.5 10.1 1.0 N B:ALA257 3.5 12.2 1.0 N B:ALA349 3.5 11.0 1.0 N B:PHE164 3.6 11.8 1.0 O B:ALA349 3.6 12.7 1.0 CA B:ALA163 3.6 11.7 1.0 O B:ALA209 3.6 11.1 1.0 O B:ALA257 3.7 11.1 1.0 CA B:ALA256 3.7 11.5 1.0 CA B:ALA348 3.8 12.2 1.0 O B:PHE164 3.8 12.9 1.0 CA B:ALA208 3.8 10.9 1.0 CB B:ALA163 3.9 10.9 1.0 CB B:ALA256 4.0 10.5 1.0 CB B:ALA348 4.0 12.5 1.0 CB B:ALA208 4.1 11.2 1.0 C B:ALA256 4.1 10.6 1.0 C B:ALA163 4.1 13.4 1.0 C B:ALA208 4.1 10.4 1.0 C B:ALA348 4.1 11.9 1.0 CA B:ALA209 4.5 11.7 1.0 C B:ALA349 4.5 14.2 1.0 C B:ALA209 4.5 11.1 1.0 CA B:ALA349 4.5 12.9 1.0 C B:ALA257 4.5 12.7 1.0 CA B:ALA257 4.5 11.2 1.0 O B:ASP162 4.6 12.5 1.0 C B:PHE164 4.6 13.4 1.0 CA B:PHE164 4.7 13.6 1.0 O B:ASP207 4.8 10.4 1.0 CB B:ALA209 4.8 13.5 1.0 N B:ALA163 4.9 12.1 1.0 O B:ASP255 4.9 12.1 1.0 N B:ALA208 5.0 11.1 1.0 N B:ALA256 5.0 11.5 1.0

A.E.Aleshin, F.M.Marassi. Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium To Be Published.