Chlorine in PDB 4dxg: Crystal Structure of Staphylococcal Superantigen-Like Protein 4 Complexed with Sialyl Lewis X

The structure of Crystal Structure of Staphylococcal Superantigen-Like Protein 4 Complexed with Sialyl Lewis X, PDB code: 4dxg was solved by S.J.Hermans, H.M.Baker, R.J.Langley, E.N.Baker, J.F.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.34 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.880, 78.880, 97.701, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 25.4

The binding sites of Chlorine atom in the Crystal Structure of Staphylococcal Superantigen-Like Protein 4 Complexed with Sialyl Lewis X (pdb code 4dxg). 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 Staphylococcal Superantigen-Like Protein 4 Complexed with Sialyl Lewis X, PDB code: 4dxg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Staphylococcal Superantigen-Like Protein 4 Complexed with Sialyl Lewis X


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 Staphylococcal Superantigen-Like Protein 4 Complexed with Sialyl Lewis X within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:49.7 occ:1.00 NZ A:LYS21 3.4 19.2 1.0 N A:GLU80 3.6 29.9 1.0 CB A:GLU80 4.0 31.8 1.0 CG A:GLU79 4.2 25.1 1.0 CG A:GLU80 4.2 36.7 1.0 CA A:GLU79 4.2 25.5 1.0 CB A:GLU79 4.3 25.3 1.0 CE A:LYS21 4.4 17.3 1.0 CA A:GLU80 4.4 31.9 1.0 C A:GLU79 4.4 27.4 1.0 CD A:LYS21 4.9 19.2 1.0 O A:GLU80 4.9 33.3 1.0 CD1 A:TYR18 5.0 23.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Staphylococcal Superantigen-Like Protein 4 Complexed with Sialyl Lewis X


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 Staphylococcal Superantigen-Like Protein 4 Complexed with Sialyl Lewis X within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:45.3 occ:1.00 CE A:MET164 3.8 20.3 1.0 O A:HOH462 3.9 43.5 1.0 N A:ASP188 4.0 17.1 0.5 N A:ASP188 4.0 17.7 0.5 OH A:TYR170 4.1 18.8 1.0 CB A:ASP188 4.3 16.7 0.5 OD1 A:ASN191 4.3 25.9 1.0 CG A:ASP188 4.4 16.9 0.5 OD2 A:ASP188 4.4 16.7 0.5 CB A:ASP188 4.4 18.4 0.5 CB A:ILE187 4.5 17.3 1.0 CA A:ASP188 4.7 17.2 0.5 CA A:ILE187 4.7 17.0 1.0 CA A:ASP188 4.8 18.3 0.5 CG2 A:ILE187 4.8 15.9 1.0 CB A:ASN191 4.9 20.7 1.0 CG A:MET164 4.9 22.6 1.0 C A:ILE187 4.9 17.4 1.0 O A:ASP188 4.9 18.2 0.5 OD1 A:ASP188 5.0 18.4 0.5

S.J.Hermans, H.M.Baker, R.P.Sequeira, R.J.Langley, E.N.Baker, J.D.Fraser. Structural and Functional Properties of Staphylococcal Superantigen-Like Protein 4 Infect.Immun. V. 80 4004 2012.
ISSN: ISSN 0019-9567
PubMed: 22949551
DOI: 10.1128/IAI.00764-12