Calcium 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:

Zinc	(Zn)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2, PDB code: 8tb2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Sasg (Type II) (Residues 165-421) From Staphylococcus Aureus MW2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca505 b:25.0 occ:1.00 OE2 A:GLU254 2.1 30.3 0.8 O A:HOH648 2.3 39.6 1.0 O A:HOH611 2.4 30.5 1.0 OE1 A:GLU254 2.5 30.2 0.6 CD A:GLU254 2.7 29.6 0.7 CG A:GLU254 4.2 29.1 0.9 O A:GLU268 4.3 22.8 0.9 CA A:GLY250 4.5 27.4 1.0 CG A:MET267 4.7 28.5 0.5 N A:GLY250 4.7 25.5 0.8 N A:GLU268 4.8 24.3 0.8 O A:HOH632 4.9 32.3 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca506 b:3.4 occ:1.00 O A:HOH665 2.2 25.4 1.0 O A:HOH628 2.2 26.8 1.0 OD2 A:ASP286 2.3 19.2 0.8 OD1 A:ASP276 2.3 23.1 1.0 O A:GLY278 2.4 22.3 0.7 OD2 A:ASP276 2.4 17.5 1.0 OD1 A:ASP286 2.4 22.4 0.9 CG A:ASP276 2.7 16.4 1.0 CG A:ASP286 2.7 22.7 1.0 OE1 A:GLN291 3.1 19.8 0.4 C A:GLY278 3.5 19.0 0.9 CD A:GLN291 4.0 19.3 0.4 O A:HOH656 4.1 32.0 1.0 NE2 A:GLN291 4.1 18.8 0.4 NE2 A:GLN291 4.2 18.5 0.6 CB A:ASP276 4.2 16.6 0.9 CB A:ASP286 4.2 19.0 0.9 N A:ASN280 4.3 20.2 0.9 O A:LEU262 4.3 27.3 0.8 N A:GLY278 4.4 17.6 0.9 OH A:TYR299 4.4 19.8 1.0 N A:TYR279 4.4 18.5 0.9 CA A:GLY278 4.4 20.5 1.0 OD2 A:ASP283 4.5 24.8 0.8 CA A:TYR279 4.5 18.4 0.9 O A:ASP241 4.5 17.4 1.0 CE1 A:TYR299 4.7 18.3 1.0 NZ A:LYS274 4.7 21.6 1.0 CB A:ASN280 4.7 24.7 1.0 C A:TYR279 4.8 20.6 0.8 CG A:GLN291 4.8 18.8 0.6 CZ A:TYR299 4.9 20.1 1.0 CD A:GLN291 4.9 20.7 0.6

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