Calcium in PDB 1acc: Anthrax Protective Antigen

The structure of Anthrax Protective Antigen, PDB code: 1acc was solved by C.Petosa, R.C.Liddington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.300, 93.700, 82.000, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 29.6

The binding sites of Calcium atom in the Anthrax Protective Antigen (pdb code 1acc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Anthrax Protective Antigen, PDB code: 1acc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Anthrax Protective Antigen


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Anthrax Protective Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca800 b:13.8 occ:1.00 O A:HOH802 1.9 13.3 1.0 OD1 A:ASP177 2.3 19.2 1.0 OD1 A:ASP181 2.3 15.7 1.0 O A:ILE183 2.4 12.8 1.0 OE2 A:GLU188 2.4 13.2 1.0 OD1 A:ASP179 2.4 17.9 1.0 CG A:ASP181 3.1 20.8 1.0 OD2 A:ASP181 3.4 17.1 1.0 CG A:ASP179 3.4 17.8 1.0 CG A:ASP177 3.4 18.1 1.0 CD A:GLU188 3.5 12.2 1.0 C A:ILE183 3.5 14.3 1.0 OD2 A:ASP179 3.7 23.8 1.0 N A:ILE183 3.8 17.2 1.0 CA A:ILE183 4.1 14.8 1.0 OD2 A:ASP177 4.2 20.9 1.0 N A:ASP181 4.2 16.0 1.0 CB A:ILE183 4.2 16.5 1.0 CA A:ASP177 4.3 19.7 1.0 OD1 A:ASP185 4.3 30.2 1.0 CA A:CA801 4.3 13.7 1.0 N A:GLY182 4.3 16.6 1.0 OE1 A:GLU188 4.3 15.1 1.0 CG A:GLU188 4.3 10.1 1.0 CB A:ASP177 4.4 18.9 1.0 CB A:ASP181 4.4 14.5 1.0 N A:ASP179 4.5 20.1 1.0 C A:ASP177 4.6 19.0 1.0 N A:PRO184 4.6 17.9 1.0 C A:PRO184 4.6 12.8 1.0 O A:PRO223 4.7 16.7 1.0 CA A:PRO223 4.7 18.9 1.0 CA A:ASP181 4.7 14.6 1.0 C A:GLY182 4.7 19.6 1.0 N A:ASN180 4.7 19.0 1.0 CB A:ASP179 4.7 17.5 1.0 N A:ASP185 4.8 13.2 1.0 O A:PRO184 4.8 21.9 1.0 N A:ARG178 4.9 19.3 1.0 C A:ASP181 4.9 14.7 1.0 CA A:ASP179 5.0 18.9 1.0 CA A:PRO184 5.0 15.6 1.0 C A:PRO223 5.0 14.8 1.0

Calcium binding site 2 out of 2 in the Anthrax Protective Antigen


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Anthrax Protective Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:13.7 occ:1.00 O A:SER222 2.2 16.7 1.0 OD2 A:ASP179 2.3 23.8 1.0 OD2 A:ASP235 2.3 15.7 1.0 OE1 A:GLU188 2.3 15.1 1.0 OD2 A:ASP181 2.3 17.1 1.0 O A:LYS225 2.4 12.8 1.0 OE2 A:GLU188 3.0 13.2 1.0 CD A:GLU188 3.0 12.2 1.0 C A:SER222 3.4 15.5 1.0 CG A:ASP179 3.4 17.8 1.0 C A:LYS225 3.4 14.2 1.0 CG A:ASP235 3.5 12.2 1.0 CG A:ASP181 3.5 20.8 1.0 OD1 A:ASP179 3.8 17.9 1.0 OG1 A:THR228 4.0 17.8 1.0 N A:LYS225 4.1 15.6 1.0 CB A:ASP235 4.1 4.7 1.0 N A:PRO223 4.2 17.4 1.0 CA A:PRO223 4.2 18.9 1.0 OD1 A:ASP181 4.2 15.7 1.0 O A:TRP226 4.2 13.1 1.0 N A:TRP226 4.2 7.7 1.0 CA A:LYS225 4.3 17.1 1.0 CA A:CA800 4.3 13.8 1.0 N A:SER222 4.3 10.4 1.0 C A:TRP226 4.3 8.5 1.0 CA A:TRP226 4.4 7.3 1.0 CA A:SER222 4.4 10.5 1.0 OD1 A:ASP235 4.5 8.8 1.0 C A:PRO223 4.5 14.8 1.0 CG A:GLU188 4.5 10.1 1.0 CB A:SER221 4.6 14.5 1.0 CB A:ASP181 4.6 14.5 1.0 CB A:ASP179 4.6 17.5 1.0 OG A:SER221 4.6 14.8 1.0 N A:GLU224 4.7 16.8 1.0 O A:HOH802 4.8 13.3 1.0 CB A:SER222 4.9 10.5 1.0 C A:SER221 4.9 14.8 1.0 CB A:LYS225 4.9 16.3 1.0

C.Petosa, R.J.Collier, K.R.Klimpel, S.H.Leppla, R.C.Liddington. Crystal Structure of the Anthrax Toxin Protective Antigen. Nature V. 385 833 1997.
ISSN: ISSN 0028-0836
PubMed: 9039918
DOI: 10.1038/385833A0