Calcium in PDB 4ee2: Crystal Structure of Anthrax Protective Antigen K446M Mutant to 1.91-A Resolution

The structure of Crystal Structure of Anthrax Protective Antigen K446M Mutant to 1.91-A Resolution, PDB code: 4ee2 was solved by A.F.Kintzer, B.A.Krantz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.69 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.216, 93.512, 116.918, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 26.5

The binding sites of Calcium atom in the Crystal Structure of Anthrax Protective Antigen K446M Mutant to 1.91-A Resolution (pdb code 4ee2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Anthrax Protective Antigen K446M Mutant to 1.91-A Resolution, PDB code: 4ee2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Anthrax Protective Antigen K446M Mutant to 1.91-A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Anthrax Protective Antigen K446M Mutant to 1.91-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca800 b:29.7 occ:1.00 OD2 A:ASP181 2.3 29.3 1.0 OD2 A:ASP179 2.3 35.2 1.0 O A:SER222 2.4 29.9 1.0 OE1 A:GLU188 2.4 33.4 1.0 OD2 A:ASP235 2.4 30.7 1.0 O A:LYS225 2.4 27.2 1.0 OE2 A:GLU188 2.8 34.6 1.0 CD A:GLU188 2.9 34.1 1.0 CG A:ASP179 3.4 33.4 1.0 CG A:ASP181 3.5 33.1 1.0 CG A:ASP235 3.5 31.8 1.0 C A:LYS225 3.5 30.9 1.0 C A:SER222 3.6 30.1 1.0 OD1 A:ASP179 3.9 31.7 1.0 OG1 A:THR228 4.0 30.0 1.0 CB A:ASP235 4.0 28.9 1.0 O A:TRP226 4.1 29.6 1.0 OD1 A:ASP181 4.1 33.7 1.0 CA A:CA801 4.2 34.0 1.0 N A:LYS225 4.2 32.2 1.0 N A:TRP226 4.3 30.5 1.0 CA A:PRO223 4.3 31.2 1.0 CA A:TRP226 4.3 30.7 1.0 C A:TRP226 4.3 31.0 1.0 N A:PRO223 4.4 32.2 1.0 CA A:LYS225 4.4 29.7 1.0 CG A:GLU188 4.4 30.8 1.0 C A:PRO223 4.5 32.6 1.0 OD1 A:ASP235 4.5 28.5 1.0 N A:SER222 4.5 31.8 1.0 CB A:ASP181 4.5 31.5 1.0 CA A:SER222 4.5 31.0 1.0 CB A:ASP179 4.6 31.5 1.0 CB A:SER221 4.6 32.5 1.0 OG A:SER221 4.6 30.7 1.0 N A:GLU224 4.8 30.6 1.0 O A:PRO223 4.8 31.5 1.0 CB A:LYS225 5.0 30.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Anthrax Protective Antigen K446M Mutant to 1.91-A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Anthrax Protective Antigen K446M Mutant to 1.91-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:34.0 occ:1.00 O A:HOH906 2.1 34.8 1.0 OD1 A:ASP177 2.2 34.4 1.0 O A:ILE183 2.3 35.2 1.0 OD1 A:ASP179 2.3 31.7 1.0 OE2 A:GLU188 2.3 34.6 1.0 OD1 A:ASP181 2.4 33.7 1.0 CG A:ASP181 3.2 33.1 1.0 CG A:ASP179 3.3 33.4 1.0 CG A:ASP177 3.4 34.5 1.0 C A:ILE183 3.5 38.5 1.0 OD2 A:ASP181 3.5 29.3 1.0 CD A:GLU188 3.5 34.1 1.0 OD2 A:ASP179 3.6 35.2 1.0 N A:ILE183 3.9 32.7 1.0 CA A:ILE183 4.1 33.7 1.0 OD2 A:ASP177 4.1 36.8 1.0 N A:ASP181 4.2 33.3 1.0 CA A:CA800 4.2 29.7 1.0 CB A:ILE183 4.2 30.4 1.0 O A:PRO223 4.2 31.5 1.0 CG A:GLU188 4.3 30.8 1.0 CA A:ASP177 4.3 36.7 1.0 N A:GLY182 4.4 35.2 1.0 CB A:ASP177 4.4 36.9 1.0 OE1 A:GLU188 4.4 33.4 1.0 CB A:ASP181 4.5 31.5 1.0 N A:ASP179 4.5 33.9 1.0 OD1 A:ASP185 4.5 42.2 1.0 N A:PRO184 4.6 36.2 1.0 CA A:PRO223 4.6 31.2 1.0 C A:ASP177 4.6 33.0 1.0 C A:PRO184 4.6 36.6 1.0 CB A:ASP179 4.6 31.5 1.0 N A:ASN180 4.7 35.2 1.0 CA A:ASP181 4.7 33.1 1.0 N A:ASP185 4.7 38.5 1.0 C A:PRO223 4.8 32.6 1.0 O A:PRO184 4.8 35.3 1.0 C A:GLY182 4.8 36.8 1.0 N A:ARG178 4.8 35.3 1.0 CA A:ASP179 4.9 32.3 1.0 C A:ASP181 4.9 35.1 1.0 CA A:PRO184 4.9 38.8 1.0 C A:ASP179 5.0 34.1 1.0

A.F.Kintzer, I.I.Tang, A.K.Schawel, M.J.Brown, B.A.Krantz. Anthrax Toxin Protective Antigen Integrates Poly-Gamma-D-Glutamate and pH Signals to Sense the Optimal Environment For Channel Formation. Proc.Natl.Acad.Sci.Usa V. 109 18378 2012.
ISSN: ISSN 0027-8424
PubMed: 23100533
DOI: 10.1073/PNAS.1208280109