Zinc in PDB 2vs0: Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa

The structure of Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa, PDB code: 2vs0 was solved by R.Sundaramoorthy, P.K.Fyfe, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.56 / 1.4
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	25.773, 39.069, 43.029, 67.41, 84.51, 88.76
R / Rfree (%)	16.6 / 21.8

The structure of Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Zinc atom in the Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa (pdb code 2vs0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa, PDB code: 2vs0:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1086 b:41.1 occ:1.00 OE1 A:GLU38 1.7 19.6 0.5 OE2 B:GLU10 1.9 25.4 1.0 CD A:GLU38 2.7 19.7 0.5 CD B:GLU10 2.8 21.1 1.0 OE1 B:GLU10 3.0 23.1 1.0 OE2 A:GLU38 3.1 22.0 0.5 OE1 A:GLU38 3.1 26.5 0.5 CG A:GLU38 4.0 18.6 0.5 CG B:GLU10 4.1 20.2 1.0 NZ B:LYS14 4.2 26.5 1.0 CD A:GLU38 4.3 22.6 0.5 CE B:LYS14 4.5 24.0 1.0 CE B:MSE6 4.9 23.7 1.0

Zinc binding site 2 out of 5 in the Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1087 b:15.0 occ:1.00 OE2 A:GLU10 1.9 18.2 1.0 O A:HOH2091 2.0 17.8 1.0 OE2 B:GLU38 2.0 14.9 1.0 CD A:GLU10 2.7 19.6 1.0 CD B:GLU38 2.8 14.4 1.0 OE1 A:GLU10 2.8 19.1 1.0 OE1 B:GLU38 2.9 15.9 1.0 NZ A:LYS14 4.0 23.7 1.0 O B:HOH2034 4.0 18.0 1.0 CG A:GLU10 4.1 20.2 1.0 CG B:GLU38 4.2 13.5 1.0 CE A:LYS14 4.6 23.8 1.0

Zinc binding site 3 out of 5 in the Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1088 b:16.4 occ:1.00 O A:HOH2093 2.1 20.7 1.0 O A:HOH2092 2.1 19.5 1.0 OD1 A:ASP23 2.2 13.0 1.0 OD2 A:ASP23 2.3 15.6 1.0 CG A:ASP23 2.6 13.0 1.0 OE1 A:GLU70 4.0 22.3 1.0 CB A:ASP23 4.1 11.4 1.0 O A:HOH2031 4.1 26.1 1.0 OE2 A:GLU70 4.2 23.7 1.0 NZ A:LYS73 4.2 18.0 1.0 O A:GLY19 4.2 10.9 1.0 CD A:GLU70 4.5 21.6 1.0 O A:HOH2026 4.7 34.8 1.0 CA A:ASP23 4.9 11.7 1.0 C A:GLY19 5.0 8.7 1.0

Zinc binding site 4 out of 5 in the Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1089 b:33.6 occ:1.00 O A:HOH2094 1.8 34.5 1.0 OE1 A:GLU44 2.4 44.5 1.0 OE2 A:GLU44 2.4 44.1 1.0 O A:HOH2095 2.5 38.3 1.0 CD A:GLU44 2.7 43.5 1.0 CG A:GLU44 4.2 43.6 1.0 O A:HOH2001 4.5 42.8 1.0

Zinc binding site 5 out of 5 in the Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structural Analysis of Homodimeric Staphylococcal Aureus Virulence Factor Esxa within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1089 b:24.6 occ:1.00 O B:HOH2079 1.8 32.9 1.0 O2 B:CAC1088 2.0 25.6 1.0 OD1 B:ASP23 2.0 17.4 1.0 OE2 B:GLU70 2.0 19.3 1.0 CG B:ASP23 2.8 17.9 1.0 CD B:GLU70 2.9 20.2 1.0 OD2 B:ASP23 3.0 21.6 1.0 OE1 B:GLU70 3.2 20.8 1.0 AS B:CAC1088 3.3 31.2 1.0 O B:GLY19 3.5 13.9 1.0 NH1 B:ARG26 3.9 30.8 1.0 C1 B:CAC1088 3.9 31.8 1.0 NZ B:LYS73 3.9 19.0 1.0 NH2 B:ARG26 4.1 34.6 1.0 C B:GLY19 4.2 12.9 1.0 CB B:ASP23 4.2 14.7 1.0 CG B:GLU70 4.3 17.7 1.0 CA B:GLY19 4.3 11.5 1.0 N B:ASP23 4.4 14.1 1.0 CZ B:ARG26 4.5 32.8 1.0 C2 B:CAC1088 4.5 30.4 1.0 O1 B:CAC1088 4.6 29.0 1.0 CA B:ASP23 4.6 14.2 1.0 CB B:SER22 4.7 14.3 1.0 OG B:SER22 4.8 15.9 1.0

R.Sundaramoorthy, P.K.Fyfe, W.N.Hunter. Structure of Staphylococcus Aureus Esxa Suggests A Contribution to Virulence By Action As A Transport Chaperone and/or Adaptor Protein. J.Mol.Biol. V. 383 603 2008.
ISSN: ISSN 0022-2836
PubMed: 18773907
DOI: 10.1016/J.JMB.2008.08.047