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

The structure of Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium-2, PDB code: 7txr 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)	37.24 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.835, 98.277, 49.433, 90, 99.82, 90
R / Rfree (%)	18.4 / 22.6

The structure of Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium-2 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-2 (pdb code 7txr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium-2, PDB code: 7txr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium-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 Calcium-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:24.4 occ:1.00 NA A:NA503 2.8 22.2 1.0 N A:ALA209 3.5 25.0 1.0 N A:ALA257 3.5 28.4 1.0 N A:ALA349 3.5 20.9 1.0 O A:ALA349 3.5 22.4 1.0 N A:PHE164 3.6 23.7 1.0 CA A:ALA256 3.6 25.8 1.0 CA A:ALA208 3.6 26.3 1.0 CA A:ALA163 3.6 23.8 1.0 O A:ALA257 3.6 23.1 1.0 O A:ALA209 3.7 21.2 1.0 CA A:ALA348 3.8 23.6 1.0 CB A:ALA163 3.8 24.0 1.0 O A:PHE164 3.8 21.8 1.0 CB A:ALA256 3.9 25.3 1.0 CB A:ALA208 3.9 25.2 1.0 CB A:ALA348 4.0 22.6 1.0 C A:ALA208 4.0 24.0 1.0 C A:ALA256 4.0 27.2 1.0 C A:ALA348 4.1 22.8 1.0 C A:ALA163 4.1 25.3 1.0 C A:ALA349 4.4 23.5 1.0 CA A:ALA349 4.5 22.1 1.0 CA A:ALA257 4.5 27.2 1.0 CA A:ALA209 4.5 25.7 1.0 C A:ALA257 4.5 27.1 1.0 C A:ALA209 4.6 25.0 1.0 CA A:PHE164 4.7 21.6 1.0 C A:PHE164 4.7 25.5 1.0 O A:ASP162 4.7 27.7 1.0 O A:ASP207 4.7 27.3 1.0 O A:ASP255 4.8 24.1 1.0 N A:ALA208 4.8 27.3 1.0 N A:ALA163 4.8 24.4 1.0 N A:ALA256 4.8 26.4 1.0 CB A:ALA349 4.9 21.7 1.0 CB A:ALA209 4.9 25.2 1.0 CB A:ALA257 5.0 29.1 1.0 N A:ALA348 5.0 23.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium-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 Calcium-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:43.0 occ:1.00 O A:HOH648 2.9 41.5 1.0 O A:HOH706 3.0 46.0 1.0 N A:ILE354 3.3 43.7 1.0 N A:ARG353 3.4 48.1 1.0 N A:SER435 3.5 33.2 1.0 CG B:PRO459 3.8 39.1 1.0 CA A:GLY352 3.8 36.1 1.0 CG1 A:ILE354 3.9 54.2 1.0 C A:GLY352 3.9 38.3 1.0 CB A:SER435 4.1 40.6 1.0 CA A:ARG353 4.1 48.9 1.0 CD B:PRO459 4.2 39.5 1.0 C A:ARG353 4.2 43.4 1.0 CA A:ILE354 4.2 43.3 1.0 C A:ILE354 4.2 40.4 1.0 CA A:SER435 4.3 34.8 1.0 CB A:ARG353 4.3 56.0 1.0 O A:SER435 4.4 30.5 1.0 OG A:SER435 4.4 36.8 1.0 CB B:PRO459 4.4 38.5 1.0 CE2 A:PHE437 4.5 26.6 1.0 CB A:ILE354 4.6 51.4 1.0 N A:GLY352 4.7 31.1 1.0 C A:SER435 4.8 29.3 1.0 CZ A:PHE437 4.8 27.6 1.0 O A:GLY352 4.9 43.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Vitronectin Hemopexin-Like Domain Binding Calcium-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:34.2 occ:1.00 NA B:NA504 2.8 34.6 1.0 N B:ALA209 3.4 31.2 1.0 N B:ALA257 3.4 32.3 1.0 N B:ALA349 3.5 33.6 1.0 O B:ALA349 3.5 31.1 1.0 O B:ALA257 3.5 34.2 1.0 N B:PHE164 3.5 33.8 1.0 CA B:ALA208 3.6 36.1 1.0 O B:PHE164 3.6 36.6 1.0 O B:ALA209 3.6 31.2 1.0 CA B:ALA163 3.6 34.7 1.0 CA B:ALA256 3.8 30.7 1.0 CB B:ALA208 3.8 37.4 1.0 CA B:ALA348 3.8 35.5 1.0 CB B:ALA163 3.9 37.4 1.0 CB B:ALA348 4.0 34.2 1.0 C B:ALA208 4.0 33.1 1.0 CB B:ALA256 4.1 33.5 1.0 C B:ALA256 4.1 29.8 1.0 C B:ALA163 4.1 35.9 1.0 C B:ALA348 4.2 33.2 1.0 C B:ALA257 4.4 32.8 1.0 C B:ALA349 4.4 32.4 1.0 CA B:ALA257 4.4 32.6 1.0 CA B:ALA349 4.5 35.6 1.0 CA B:ALA209 4.5 30.9 1.0 C B:ALA209 4.5 31.5 1.0 C B:PHE164 4.5 39.9 1.0 CA B:PHE164 4.6 35.3 1.0 O B:ASP162 4.7 31.0 1.0 N B:ALA163 4.8 32.1 1.0 N B:ALA208 4.9 36.4 1.0 CB B:ALA349 4.9 35.0 1.0 CB B:ALA257 4.9 32.8 1.0 CB B:ALA209 4.9 32.8 1.0 O B:ASP207 4.9 35.6 1.0 N B:ALA256 5.0 32.2 1.0 O B:ASP255 5.0 36.4 1.0

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