Chlorine in PDB 7u68: Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Sodium-2

The structure of Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Sodium-2, PDB code: 7u68 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)	35.52 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.582, 124.905, 40.778, 90, 119.5, 90
R / Rfree (%)	18.4 / 24.7

The structure of Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Sodium-2 also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Sodium-2 (pdb code 7u68). 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 Sodium-2, PDB code: 7u68:
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 Sodium-2


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 Sodium-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:22.7 occ:1.00 NA A:NA502 3.1 21.0 1.0 N A:ALA349 3.4 22.5 1.0 N A:ALA209 3.5 19.9 1.0 O A:ALA349 3.6 20.7 1.0 N A:ALA257 3.6 18.8 1.0 N A:PHE164 3.7 22.3 1.0 CA A:ALA208 3.7 21.1 1.0 O A:PHE164 3.7 20.1 1.0 CA A:ALA348 3.7 22.1 1.0 CA A:ALA163 3.7 22.8 1.0 CA A:ALA256 3.8 18.9 1.0 O A:ALA209 3.8 19.8 1.0 O A:ALA257 3.8 20.4 1.0 CB A:ALA163 3.8 21.2 1.0 CB A:ALA348 3.9 21.1 1.0 CB A:ALA208 3.9 20.8 1.0 C A:ALA348 4.1 21.8 1.0 C A:ALA208 4.1 20.9 1.0 CB A:ALA256 4.1 19.5 1.0 C A:ALA256 4.2 17.5 1.0 C A:ALA163 4.3 22.5 1.0 C A:ALA349 4.5 23.8 1.0 CA A:ALA349 4.5 22.7 1.0 CA A:ALA209 4.5 21.5 1.0 C A:PHE164 4.6 25.8 1.0 C A:ALA209 4.6 22.3 1.0 C A:ALA257 4.7 19.5 1.0 CA A:ALA257 4.7 19.2 1.0 NA A:NA501 4.7 24.4 1.0 CA A:PHE164 4.7 26.6 1.0 O A:ASP162 4.7 26.0 1.0 O A:ASP207 4.8 23.4 1.0 O A:ASP255 4.8 21.3 1.0 N A:ALA208 4.9 22.9 1.0 CB A:ALA349 4.9 21.1 1.0 CB A:ALA209 4.9 23.0 1.0 N A:ALA256 5.0 19.7 1.0 N A:ALA348 5.0 22.5 1.0 N A:ALA163 5.0 25.7 1.0

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


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 Sodium-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:18.4 occ:1.00 NA B:NA501 3.0 15.0 1.0 N B:ALA257 3.4 16.8 1.0 N B:ALA209 3.4 15.5 1.0 N B:ALA349 3.5 15.7 1.0 O B:ALA257 3.6 16.7 1.0 O B:ALA209 3.6 15.1 1.0 O B:ALA349 3.6 18.4 1.0 N B:PHE164 3.6 17.5 1.0 O B:PHE164 3.6 20.1 1.0 CA B:ALA163 3.7 19.3 1.0 CA B:ALA208 3.7 16.4 1.0 CA B:ALA256 3.7 16.4 1.0 CA B:ALA348 3.8 19.2 1.0 CB B:ALA163 3.9 20.3 1.0 CB B:ALA208 3.9 17.0 1.0 C B:ALA256 4.1 17.2 1.0 C B:ALA208 4.1 15.4 1.0 CB B:ALA256 4.1 16.5 1.0 CB B:ALA348 4.1 20.3 1.0 C B:ALA348 4.2 18.4 1.0 C B:ALA163 4.2 18.9 1.0 CA B:ALA209 4.4 15.5 1.0 C B:ALA257 4.4 16.7 1.0 C B:ALA209 4.5 15.0 1.0 CA B:ALA257 4.5 17.2 1.0 C B:ALA349 4.5 17.5 1.0 CA B:ALA349 4.5 17.4 1.0 C B:PHE164 4.5 19.4 1.0 O B:ASP162 4.6 18.4 1.0 CA B:PHE164 4.7 18.5 1.0 CB B:ALA209 4.8 16.3 1.0 N B:ALA163 4.9 20.3 1.0 NA B:NA502 4.9 21.2 1.0 O B:ASP207 4.9 19.5 1.0 N B:ALA256 5.0 16.6 1.0 N B:ALA208 5.0 17.3 1.0 CB B:ALA349 5.0 16.7 1.0 O B:ASP255 5.0 17.5 1.0 CB B:ALA257 5.0 17.9 1.0

Y.Tian, K.Shin, A.E.Aleshin, F.Marassi. Structural Basis For Calcium-Induced Thermostability of Human Vitronectin To Be Published.