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

Protein crystallography data

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

Chlorine Binding Sites:

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 4dxf

Go back to Chlorine Binding Sites List in 4dxf
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 4dxf

Go back to Chlorine Binding Sites List in 4dxf
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 4dxf

Go back to Chlorine Binding Sites List in 4dxf
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 4dxf

Go back to Chlorine Binding Sites List in 4dxf
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

Reference:

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
Page generated: Fri Jul 11 14:32:43 2025

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