Chlorine in PDB 3ury: Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325

The structure of Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325, PDB code: 3ury was solved by E.V.Filippova, G.Minasov, L.Shuvalova, A.Halavaty, J.Winsor, I.Dubrovska, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.68 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.734, 79.555, 55.354, 90.00, 103.16, 90.00
R / Rfree (%)	18.8 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325 (pdb code 3ury). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325, PDB code: 3ury:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325


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 Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:48.4 occ:1.00 ND2 A:ASN205 3.4 43.1 1.0 N B:TYR157 3.5 40.6 1.0 CB B:ASP156 3.6 41.5 1.0 CD1 B:TYR157 3.7 43.9 1.0 CB B:TYR157 3.8 43.8 1.0 CG B:ASP156 4.1 45.9 1.0 O A:LYS207 4.1 48.4 1.0 CB A:ASN205 4.1 47.6 1.0 CG B:TYR157 4.2 45.5 1.0 CA B:TYR157 4.2 42.3 1.0 CG A:ASN205 4.3 46.3 1.0 C B:ASP156 4.5 43.7 1.0 OD2 B:ASP156 4.5 39.8 1.0 CA B:ASP156 4.5 39.8 1.0 CA A:LYS208 4.5 54.8 1.0 CE2 B:PHE158 4.6 55.2 1.0 C A:LYS207 4.6 53.1 1.0 CD2 B:PHE158 4.6 52.2 1.0 OD1 B:ASP156 4.7 40.1 1.0 N A:LYS208 4.8 54.3 1.0 CE1 B:TYR157 4.8 47.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325


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 Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:57.4 occ:1.00 N A:TYR157 3.2 39.4 1.0 ND2 B:ASN205 3.2 39.6 1.0 O A:HOH329 3.3 51.7 1.0 CB A:ASP156 3.4 46.4 1.0 CB A:TYR157 3.7 45.5 1.0 CD1 A:TYR157 3.8 55.3 1.0 CA A:TYR157 4.0 40.9 1.0 C A:ASP156 4.1 43.0 1.0 CG B:ASN205 4.1 40.8 1.0 CG A:ASP156 4.2 48.0 1.0 CA A:ASP156 4.2 43.6 1.0 CB B:ASN205 4.2 41.5 1.0 CG A:TYR157 4.2 51.1 1.0 CE2 A:PHE158 4.4 50.5 1.0 CD2 A:PHE158 4.4 47.8 1.0 O B:LYS207 4.4 44.5 1.0 OD2 A:ASP156 4.5 50.4 1.0 CA B:LYS208 4.5 50.9 1.0 O B:THR236 4.5 41.4 1.0 C A:TYR157 4.8 43.3 1.0 CB B:LYS208 4.9 54.3 1.0 OD1 A:ASP156 4.9 48.9 1.0 N B:VAL209 4.9 47.4 1.0 CE1 A:TYR157 5.0 56.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325


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 Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:53.0 occ:1.00 O A:HOH324 2.9 42.4 1.0 NE1 A:TRP145 3.3 50.5 1.0 ND2 A:ASN152 3.4 42.0 1.0 NZ A:LYS161 3.8 45.0 1.0 OD1 A:ASN152 4.0 44.3 1.0 CB A:PHE150 4.1 43.2 1.0 CD1 A:TRP145 4.1 51.9 1.0 CG A:ASN152 4.1 44.4 1.0 CE2 A:TRP145 4.3 51.4 1.0 CD1 A:LEU142 4.3 49.2 1.0 CD A:LYS161 4.3 48.3 1.0 O A:HOH359 4.3 42.5 1.0 CD2 A:PHE150 4.4 46.0 1.0 CE A:LYS161 4.5 54.4 1.0 CB A:LEU142 4.5 48.4 1.0 CG A:PHE150 4.6 42.0 1.0 CZ2 A:TRP145 4.7 52.9 1.0 CG A:LEU142 4.7 48.6 1.0 O A:PHE150 4.8 37.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:58.6 occ:1.00 NZ B:LYS161 3.0 66.8 1.0 ND2 B:ASN152 3.1 47.5 1.0 NE1 B:TRP145 3.2 87.0 1.0 CB B:PHE150 3.8 55.5 1.0 OD1 B:ASN152 4.0 55.2 1.0 CG B:ASN152 4.0 51.6 1.0 CD2 B:PHE150 4.1 60.8 1.0 CD B:LYS161 4.1 62.2 1.0 CD1 B:TRP145 4.1 85.0 1.0 CE2 B:TRP145 4.1 88.7 1.0 CE B:LYS161 4.1 67.9 1.0 CD1 B:LEU142 4.2 72.9 1.0 CG B:PHE150 4.4 57.3 1.0 CZ2 B:TRP145 4.4 89.5 1.0 CB B:LEU142 4.5 68.8 1.0 O B:PHE150 4.6 51.6 1.0 CG B:LEU142 4.8 69.4 1.0 CA B:PHE150 4.9 54.5 1.0 C B:PHE150 5.0 52.7 1.0 N B:PHE150 5.0 56.0 1.0 N B:LEU142 5.0 64.7 1.0 CD2 B:LEU142 5.0 74.9 1.0

E.V.Filippova, G.Minasov, L.Shuvalova, A.Halavaty, J.Winsor, I.Dubrovska, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Superantigen-Like Protein, Exotoxin From Staphylococcus Aureus Subsp. Aureus Nctc 8325 To Be Published.