Zinc in PDB 8tb2: Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2

The structure of Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2, PDB code: 8tb2 was solved by J.J.Maciag, A.B.Herr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.36 / 1.88
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.6, 70.21, 43.54, 90, 90, 90
R / Rfree (%)	18.4 / 25.3

The structure of Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2 also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Zinc atom in the Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2 (pdb code 8tb2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2, PDB code: 8tb2:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn508 b:22.9 occ:1.00 O A:HOH662 1.9 26.2 1.0 ND1 A:HIS233 2.2 24.8 1.0 O A:HIS233 2.3 20.9 1.0 O A:HOH680 2.4 34.3 1.0 CE1 A:HIS233 3.1 25.4 0.6 CG A:HIS233 3.2 27.1 0.8 C A:HIS233 3.4 24.9 1.0 CB A:HIS233 3.6 29.3 0.9 CA A:HIS233 4.1 23.9 1.0 NE2 A:HIS233 4.3 25.5 0.8 CD2 A:HIS233 4.3 23.9 1.0 N A:GLN234 4.4 21.4 1.0 CA A:GLN234 4.6 21.1 1.0 CZ A:PHE296 5.0 21.8 1.0

Zinc binding site 2 out of 3 in the Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn509 b:61.5 occ:1.00 NE2 A:HIS173 2.4 27.6 0.6 OE2 A:GLU172 2.7 31.4 0.6 O A:GLN169 2.9 28.5 0.6 CE1 A:HIS173 3.3 28.9 0.4 CD2 A:HIS173 3.3 28.5 0.8 CD A:GLU172 3.8 30.9 0.0 C A:GLN169 4.1 27.3 0.6 CG A:GLU172 4.2 31.4 0.7 N A:GLN169 4.2 25.5 1.0 ND1 A:HIS173 4.4 29.4 0.9 CG A:HIS173 4.5 27.3 1.0 CA A:GLN169 4.8 28.6 0.9 OE1 A:GLU172 4.8 32.9 0.6

Zinc binding site 3 out of 3 in the Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn510 b:75.0 occ:1.00 CB A:ASP308 3.5 36.6 0.7 N A:ASP308 3.6 28.6 0.8 CA A:GLY306 3.7 29.6 0.7 CB A:THR310 3.7 25.6 0.9 N A:THR310 3.7 23.1 0.9 O A:HOH613 3.7 38.1 1.0 CA A:ASP308 3.9 31.2 1.0 OG1 A:THR310 3.9 27.4 0.5 N A:GLY309 4.0 26.8 0.7 C A:GLY306 4.0 30.1 0.8 N A:GLY306 4.0 29.2 0.8 N A:ALA307 4.1 32.2 0.6 C A:ASP308 4.1 30.0 0.7 CA A:THR310 4.2 23.7 0.8 O A:THR310 4.4 22.4 0.9 C A:ALA307 4.7 29.1 0.8 C A:GLY309 4.7 23.5 0.7 O A:GLY306 4.8 29.8 0.9 C A:THR310 4.8 23.5 0.9 CG2 A:THR310 4.9 23.1 0.9 O A:ASP308 4.9 27.6 0.6 CA A:GLY309 4.9 27.4 0.9 CA A:ALA307 5.0 28.1 1.0

K.B.Mills, J.J.Maciag, C.Wang, J.A.Crawford, T.J.Enroth, K.C.Keim, Y.F.Dufrene, D.A.Robinson, P.D.Fey, A.B.Herr, A.R.Horswill. Staphylococcus Aureus Skin Colonization Is Mediated By Sasg Lectin Variation. Cell Rep V. 43 14022 2024.
ISSN: ESSN 2211-1247
PubMed: 38568806
DOI: 10.1016/J.CELREP.2024.114022