Chlorine in PDB 4rco: 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx.

The structure of 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx., PDB code: 4rco was solved by G.Minasov, S.Nocadello, L.Shuvalova, E.Filippova, A.Halavaty, I.Dubrovska, K.Flores, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.10 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.983, 88.904, 153.839, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.4

The binding sites of Chlorine atom in the 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx. (pdb code 4rco). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx., PDB code: 4rco:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:32.2 occ:1.00 O4 A:SIA404 2.9 26.5 1.0 O A:HOH672 3.0 37.5 1.0 N A:LYS277 3.5 27.1 1.0 N5 A:SIA404 3.6 22.7 1.0 CA A:GLY276 3.7 31.8 1.0 C10 A:SIA404 3.7 28.6 1.0 C4 A:SIA404 3.7 24.8 1.0 C11 A:SIA404 3.8 27.6 1.0 C A:GLY276 4.0 29.7 1.0 CG A:LYS277 4.1 30.3 1.0 O A:LYS277 4.2 23.9 1.0 C5 A:SIA404 4.3 22.0 1.0 O10 A:SIA404 4.3 30.3 1.0 CA A:LYS277 4.6 27.4 1.0 O A:GLY275 4.6 38.5 1.0 O A:HOH721 4.6 31.9 0.5 CB A:LYS277 4.7 27.8 1.0 N A:GLY276 4.8 34.0 1.0 CD A:LYS277 4.9 36.2 1.0 C A:LYS277 4.9 23.9 1.0

Chlorine binding site 2 out of 3 in the 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:38.0 occ:1.00 O4 B:SIA404 3.0 30.2 1.0 N B:LYS277 3.3 29.4 1.0 CA B:GLY276 3.5 34.1 1.0 N5 B:SIA404 3.6 27.8 1.0 C10 B:SIA404 3.8 32.6 1.0 C4 B:SIA404 3.8 32.7 1.0 C11 B:SIA404 3.8 30.3 1.0 C B:GLY276 3.9 30.2 1.0 O B:LYS277 4.2 26.0 1.0 CG B:LYS277 4.2 32.3 1.0 C5 B:SIA404 4.3 28.1 1.0 O10 B:SIA404 4.4 37.7 1.0 CA B:LYS277 4.4 27.7 1.0 N B:GLY276 4.7 34.2 1.0 CB B:LYS277 4.7 30.0 1.0 O B:GLY275 4.7 40.4 1.0 C B:LYS277 4.8 28.0 1.0 O B:HOH633 5.0 54.0 1.0

Chlorine binding site 3 out of 3 in the 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:42.0 occ:1.00 O A:HOH551 2.9 39.7 1.0 O B:HOH631 3.0 53.0 1.0 O A:HOH655 3.2 49.1 1.0 N B:ILE159 3.2 34.4 1.0 CA B:PHE158 3.8 40.3 1.0 CB B:ILE159 3.9 35.2 1.0 CG1 B:ILE159 4.0 37.9 1.0 C B:PHE158 4.0 36.5 1.0 CD1 B:PHE158 4.0 45.7 1.0 CA A:GLY175 4.1 37.3 1.0 CB B:PHE158 4.1 40.8 1.0 CA B:ILE159 4.1 34.8 1.0 CD1 B:ILE159 4.1 39.9 1.0 O B:HOH668 4.4 62.2 1.0 CG2 A:VAL176 4.5 38.4 1.0 O B:ILE159 4.5 32.8 1.0 N A:VAL176 4.6 35.2 1.0 CG B:PHE158 4.6 44.6 1.0 O B:TYR157 4.7 41.0 1.0 C A:GLY175 4.8 35.8 1.0 O A:HOH603 4.8 43.1 1.0 C B:ILE159 4.8 33.0 1.0

G.Minasov, S.Nocadello, L.Shuvalova, E.Filippova, A.Halavaty, I.Dubrovska, K.Flores, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.9 Angstrom Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus, in Complex with Sialyl-Lewisx. To Be Published.