Chlorine in PDB 4dxf: Crystal Structure of Staphylococcal Superantigen-Like Protein 4

The structure of Crystal Structure of Staphylococcal Superantigen-Like Protein 4, PDB code: 4dxf 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)	27.62 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.102, 81.195, 57.301, 90.00, 105.45, 90.00
R / Rfree (%)	20.9 / 26.1

The binding sites of Chlorine atom in the Crystal Structure of Staphylococcal Superantigen-Like Protein 4 (pdb code 4dxf). 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 Staphylococcal Superantigen-Like Protein 4, PDB code: 4dxf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Staphylococcal Superantigen-Like Protein 4


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:39.3 occ:1.00 NE1 A:TRP37 3.1 48.5 1.0 ND2 A:ASN44 3.4 27.8 1.0 NZ A:LYS53 3.5 33.0 1.0 CD1 A:TRP37 3.9 49.1 1.0 OD1 A:ASN44 4.0 27.1 1.0 CD1 A:LEU34 4.0 39.0 1.0 CG A:ASN44 4.1 27.9 1.0 CD A:LYS53 4.1 33.3 1.0 CE2 A:TRP37 4.2 49.7 1.0 CE A:LYS53 4.3 35.8 1.0 CB A:PHE42 4.3 25.4 1.0 CD2 A:PHE42 4.5 30.7 1.0 CG A:LEU34 4.5 35.8 1.0 CB A:LEU34 4.6 34.8 1.0 CZ2 A:TRP37 4.6 49.7 1.0 CG A:PHE42 4.9 30.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Staphylococcal Superantigen-Like Protein 4


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:31.4 occ:1.00 O A:HOH521 3.1 33.6 1.0 O B:HOH413 3.1 29.1 1.0 O B:HOH501 3.2 31.1 1.0 ND2 B:ASN97 3.3 26.4 1.0 O B:HOH546 3.5 32.0 1.0 N A:TYR49 3.5 26.2 1.0 CB A:ASP48 3.6 25.4 1.0 CD1 A:TYR49 3.7 26.0 1.0 CB A:TYR49 3.9 26.1 1.0 O B:LYS99 4.0 24.9 1.0 CB B:ASN97 4.0 21.8 1.0 CG B:ASN97 4.1 22.9 1.0 CG A:TYR49 4.3 27.7 1.0 CG A:ASP48 4.3 26.9 1.0 CA A:TYR49 4.3 25.8 1.0 C A:ASP48 4.4 26.4 1.0 CA B:LYS100 4.4 27.4 1.0 CA A:ASP48 4.4 25.9 1.0 C B:LYS99 4.6 29.0 1.0 OD2 A:ASP48 4.7 28.0 1.0 N B:LYS100 4.8 26.7 1.0 CE2 A:PHE50 4.8 35.1 1.0 CE1 A:TYR49 4.8 26.8 1.0 CD2 A:PHE50 4.9 30.1 1.0 OD1 A:ASP48 5.0 22.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Staphylococcal Superantigen-Like Protein 4


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 Staphylococcal Superantigen-Like Protein 4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:38.2 occ:1.00 O A:HOH463 2.9 30.3 1.0 ND2 A:ASN97 3.2 21.5 1.0 O B:HOH527 3.3 39.3 1.0 N B:TYR49 3.3 26.5 1.0 CB B:ASP48 3.4 29.6 1.0 CD1 B:TYR49 3.8 27.8 1.0 CB B:TYR49 3.9 25.5 1.0 CG B:ASP48 4.2 32.7 1.0 C B:ASP48 4.2 28.8 1.0 CA B:TYR49 4.2 25.1 1.0 CA B:ASP48 4.2 28.8 1.0 CG A:ASN97 4.2 23.2 1.0 CB A:ASN97 4.3 19.3 1.0 CG B:TYR49 4.4 27.9 1.0 O A:LYS99 4.4 31.2 1.0 CE2 B:PHE50 4.5 32.0 1.0 OD2 B:ASP48 4.6 36.1 1.0 CD2 B:PHE50 4.6 30.3 1.0 CA A:LYS100 4.6 31.6 1.0 O A:THR128 4.6 26.8 1.0 OD1 B:ASP48 4.8 25.7 1.0 CE1 B:TYR49 4.9 31.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Staphylococcal Superantigen-Like Protein 4


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 Staphylococcal Superantigen-Like Protein 4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:33.7 occ:1.00 O B:HOH431 3.0 27.7 1.0 NE1 B:TRP37 3.1 28.1 1.0 ND2 B:ASN44 3.3 21.9 1.0 CE B:LYS53 3.5 29.4 1.0 NZ B:LYS53 3.6 26.0 1.0 CD B:LYS53 3.7 31.1 1.0 CD1 B:TRP37 3.9 28.4 1.0 OD1 B:ASN44 4.0 24.9 1.0 CG B:ASN44 4.1 25.4 1.0 CE2 B:TRP37 4.2 28.0 1.0 CB B:PHE42 4.3 17.5 1.0 CD2 B:PHE42 4.5 23.3 1.0 CD1 B:LEU34 4.5 30.6 1.0 O B:HOH458 4.6 23.8 1.0 CB B:LEU34 4.6 26.1 1.0 CZ2 B:TRP37 4.6 29.5 1.0 CG B:PHE42 4.7 20.7 1.0 O B:PHE42 4.9 20.0 1.0 CG B:LEU34 4.9 28.2 1.0

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