Calcium in PDB 7smh: Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus

The structure of Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus, PDB code: 7smh was solved by K.E.Atkin, F.Whelan, A.S.Brentnall, E.J.Dodson, J.P.Turkenburg, J.R.Potts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.37 / 1.65
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	63.21, 63.21, 273.36, 90, 90, 90
R / Rfree (%)	18.6 / 22.6

The binding sites of Calcium atom in the Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus (pdb code 7smh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus, PDB code: 7smh:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus


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 A-Domain (Residues 163-419) From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:19.3 occ:1.00 O A:GLY277 2.4 20.5 1.0 O A:HOH613 2.4 23.5 1.0 OD1 A:ASP275 2.4 15.0 1.0 OD1 A:ASP285 2.4 20.4 1.0 OD2 A:ASP275 2.4 18.0 1.0 O A:HOH639 2.4 18.8 1.0 OD2 A:ASP285 2.5 21.3 1.0 OE1 A:GLN290 2.5 19.1 1.0 CG A:ASP275 2.7 15.9 1.0 CG A:ASP285 2.7 22.2 1.0 CD A:GLN290 3.5 19.1 1.0 C A:GLY277 3.6 23.2 1.0 NE2 A:GLN290 3.9 19.6 1.0 CB A:ASP285 4.2 24.4 1.0 CB A:ASP275 4.2 15.3 1.0 N A:ILE279 4.3 19.2 1.0 OH A:TYR298 4.4 18.1 1.0 CA A:TYR278 4.4 23.1 1.0 N A:TYR278 4.5 27.6 1.0 N A:GLY277 4.5 20.6 1.0 CE1 A:TYR298 4.5 20.4 1.0 O A:LEU261 4.5 16.3 1.0 CA A:GLY277 4.5 22.1 1.0 O A:ASP240 4.6 16.5 1.0 CD1 A:ILE279 4.6 29.9 1.0 NZ A:LYS273 4.7 15.9 1.0 C A:TYR278 4.8 24.2 1.0 CZ A:TYR298 4.8 17.9 1.0 CG A:GLN290 4.9 21.0 1.0 CB A:ILE279 4.9 25.1 1.0

Calcium binding site 2 out of 4 in the Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus


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 A-Domain (Residues 163-419) From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca500 b:20.1 occ:1.00 O B:HOH612 2.4 19.1 1.0 O B:GLY277 2.4 20.8 1.0 OD2 B:ASP275 2.4 20.4 1.0 OD2 B:ASP285 2.4 26.3 1.0 OD1 B:ASP275 2.4 25.0 1.0 O B:HOH675 2.4 15.8 1.0 OD1 B:ASP285 2.5 25.7 1.0 OE1 B:GLN290 2.5 26.4 1.0 CG B:ASP275 2.7 18.8 1.0 CG B:ASP285 2.8 24.3 1.0 C B:GLY277 3.3 23.9 1.0 CD B:GLN290 3.5 28.8 1.0 NE2 B:GLN290 3.9 29.6 1.0 N B:TYR278 4.1 24.7 1.0 N B:ILE279 4.2 26.6 1.0 CA B:TYR278 4.2 25.7 1.0 OH B:TYR298 4.2 37.5 1.0 CB B:ASP275 4.2 17.4 1.0 CB B:ASP285 4.2 24.1 1.0 CG1 B:ILE279 4.3 30.7 1.0 N B:GLY277 4.4 22.7 1.0 CE1 B:TYR298 4.4 34.5 1.0 CA B:GLY277 4.4 23.1 1.0 C B:TYR278 4.6 26.5 1.0 NZ B:LYS273 4.6 12.4 1.0 O B:LEU261 4.7 20.9 1.0 CZ B:TYR298 4.7 35.8 1.0 O B:ASP240 4.7 11.5 1.0 CB B:ILE279 4.8 25.8 1.0 CG B:GLN290 4.9 26.1 1.0

Calcium binding site 3 out of 4 in the Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca501 b:16.9 occ:1.00 O C:GLY277 2.3 14.9 1.0 OD1 C:ASP275 2.4 19.2 1.0 O C:HOH663 2.4 10.2 1.0 OD2 C:ASP275 2.4 17.9 1.0 OD2 C:ASP285 2.5 18.3 1.0 OD1 C:ASP285 2.5 19.5 1.0 O C:HOH644 2.5 15.9 1.0 OE1 C:GLN290 2.5 22.3 1.0 CG C:ASP275 2.7 17.8 1.0 CG C:ASP285 2.8 23.1 1.0 C C:GLY277 3.5 17.8 1.0 CD C:GLN290 3.6 21.7 1.0 NE2 C:GLN290 3.9 23.5 1.0 OH C:TYR298 4.1 16.2 1.0 O C:LEU261 4.2 14.2 1.0 CB C:ASP275 4.2 18.3 1.0 CB C:ASP285 4.3 26.1 1.0 N C:GLY277 4.3 14.4 1.0 CG1 C:ILE279 4.4 25.9 1.0 N C:TYR278 4.4 21.0 1.0 CA C:GLY277 4.4 16.6 1.0 N C:ILE279 4.4 29.1 1.0 CA C:TYR278 4.4 22.2 1.0 CE1 C:TYR298 4.4 17.6 1.0 O C:ASP240 4.6 12.7 1.0 CZ C:TYR298 4.7 17.9 1.0 NZ C:LYS273 4.7 14.7 1.0 C C:TYR278 4.8 23.4 1.0 CD1 C:ILE279 4.8 28.0 1.0 CG C:GLN290 4.9 22.5 1.0

Calcium binding site 4 out of 4 in the Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca500 b:20.3 occ:1.00 OD1 D:ASP285 2.4 21.9 1.0 O D:GLY277 2.4 22.3 1.0 OD2 D:ASP275 2.4 21.8 1.0 OD1 D:ASP275 2.4 19.9 1.0 OD2 D:ASP285 2.4 19.6 1.0 O D:HOH616 2.4 14.8 1.0 OE1 D:GLN290 2.5 19.8 1.0 O D:HOH650 2.5 13.0 1.0 CG D:ASP285 2.7 22.6 1.0 CG D:ASP275 2.7 19.5 1.0 CD D:GLN290 3.5 24.3 1.0 C D:GLY277 3.6 20.8 1.0 NE2 D:GLN290 3.9 23.2 1.0 CB D:ASP285 4.2 22.2 1.0 CB D:ASP275 4.2 19.1 1.0 OH D:TYR298 4.3 9.9 1.0 O D:LEU261 4.4 17.0 1.0 CE1 D:TYR298 4.4 12.7 1.0 N D:ILE279 4.4 28.3 1.0 CG1 D:ILE279 4.4 33.6 1.0 N D:TYR278 4.5 25.4 1.0 N D:GLY277 4.5 20.0 1.0 CA D:TYR278 4.5 24.5 1.0 CA D:GLY277 4.5 20.6 1.0 NZ D:LYS273 4.7 14.2 1.0 O D:ASP240 4.8 16.3 1.0 CZ D:TYR298 4.8 10.4 1.0 CG D:GLN290 4.9 23.8 1.0 C D:TYR278 4.9 25.0 1.0 CA D:ASP285 5.0 23.9 1.0 CB D:ILE279 5.0 32.2 1.0

K.E.Atkin, F.Whelan, A.S.Brentnall, E.J.Dodson, J.P.Turkenburg, J.R.Potts. Structure of Sasg A-Domain (Residues 163-419) From Staphylococcus Aureus To Be Published.