Calcium in PDB 5fr3: X-Ray Crystal Structure of Aggregation-Resistant Protective Antigen of Bacillus Anthracis (Mutant S559L T576E)

The structure of X-Ray Crystal Structure of Aggregation-Resistant Protective Antigen of Bacillus Anthracis (Mutant S559L T576E), PDB code: 5fr3 was solved by A.Ganesan, A.Siekierska, J.Beerten, M.Brams, J.Van Durme, G.De Baets, R.Van Der Kant, R.Gallardo, M.Ramakers, T.Langenberg, H.Wilkinson, F.De Smet, C.Ulens, F.Rousseau, J.Schymkowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.433 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.547, 94.714, 100.627, 90.00, 90.00, 90.00
R / Rfree (%)	17.81 / 22.72

The binding sites of Calcium atom in the X-Ray Crystal Structure of Aggregation-Resistant Protective Antigen of Bacillus Anthracis (Mutant S559L T576E) (pdb code 5fr3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Crystal Structure of Aggregation-Resistant Protective Antigen of Bacillus Anthracis (Mutant S559L T576E), PDB code: 5fr3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Crystal Structure of Aggregation-Resistant Protective Antigen of Bacillus Anthracis (Mutant S559L T576E)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Crystal Structure of Aggregation-Resistant Protective Antigen of Bacillus Anthracis (Mutant S559L T576E) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1736 b:24.4 occ:1.00 O A:HOH2155 2.3 22.8 1.0 OD1 A:ASP181 2.3 25.1 1.0 OD1 A:ASP177 2.3 28.7 1.0 OE2 A:GLU188 2.3 26.1 1.0 O A:ILE183 2.3 25.1 1.0 OD1 A:ASP179 2.4 24.2 1.0 CG A:ASP181 3.2 27.9 1.0 CG A:ASP179 3.3 33.5 1.0 C A:ILE183 3.5 31.7 1.0 CG A:ASP177 3.5 30.3 1.0 CD A:GLU188 3.5 25.7 1.0 OD2 A:ASP181 3.5 28.8 1.0 OD2 A:ASP179 3.6 25.0 1.0 N A:ILE183 3.8 25.5 1.0 CA A:ILE183 4.1 26.4 1.0 N A:ASP181 4.2 29.1 1.0 CB A:ILE183 4.2 27.4 1.0 CG A:GLU188 4.2 25.1 1.0 OD2 A:ASP177 4.3 32.8 1.0 CA A:CA1737 4.3 23.6 1.0 CA A:ASP177 4.3 27.4 1.0 N A:GLY182 4.4 31.1 1.0 O A:PRO223 4.4 27.7 1.0 OD1 A:ASP185 4.4 35.1 1.0 CB A:ASP177 4.4 26.0 1.0 OE1 A:GLU188 4.4 23.8 1.0 N A:ASP179 4.5 26.0 1.0 CB A:ASP181 4.5 25.0 1.0 C A:ASP177 4.5 31.4 1.0 CA A:PRO223 4.6 26.4 1.0 N A:PRO184 4.6 29.2 1.0 C A:PRO184 4.6 25.2 1.0 CB A:ASP179 4.7 34.0 1.0 N A:ASN180 4.7 33.2 1.0 CA A:ASP181 4.7 28.6 1.0 O A:PRO184 4.8 29.5 1.0 N A:ASP185 4.8 28.1 1.0 C A:GLY182 4.8 37.6 1.0 N A:ARG178 4.8 31.3 1.0 C A:PRO223 4.8 27.6 1.0 CA A:PRO184 4.9 27.7 1.0 CA A:ASP179 4.9 29.6 1.0 C A:ASP181 4.9 34.3 1.0 C A:ASP179 5.0 30.5 1.0

Calcium binding site 2 out of 2 in the X-Ray Crystal Structure of Aggregation-Resistant Protective Antigen of Bacillus Anthracis (Mutant S559L T576E)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Crystal Structure of Aggregation-Resistant Protective Antigen of Bacillus Anthracis (Mutant S559L T576E) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1737 b:23.6 occ:1.00 OD2 A:ASP179 2.3 25.0 1.0 O A:SER222 2.3 29.0 1.0 OD2 A:ASP181 2.4 28.8 1.0 OD2 A:ASP235 2.4 24.7 1.0 O A:LYS225 2.4 23.3 1.0 OE1 A:GLU188 2.4 23.8 1.0 OE2 A:GLU188 2.8 26.1 1.0 CD A:GLU188 3.0 25.7 1.0 CG A:ASP179 3.4 33.5 1.0 C A:LYS225 3.5 25.4 1.0 CG A:ASP235 3.5 26.5 1.0 C A:SER222 3.5 28.9 1.0 CG A:ASP181 3.5 27.9 1.0 OD1 A:ASP179 3.8 24.2 1.0 CB A:ASP235 4.0 25.4 1.0 OG1 A:THR228 4.1 20.6 1.0 O A:TRP226 4.1 24.1 1.0 OD1 A:ASP181 4.1 25.1 1.0 CA A:PRO223 4.2 26.4 1.0 N A:LYS225 4.2 22.4 1.0 N A:PRO223 4.3 25.3 1.0 N A:TRP226 4.3 22.3 1.0 CA A:CA1736 4.3 24.4 1.0 CA A:TRP226 4.3 21.4 1.0 C A:TRP226 4.3 25.1 1.0 CA A:LYS225 4.4 33.6 1.0 OG A:SER221 4.4 29.1 1.0 C A:PRO223 4.4 27.6 1.0 OD1 A:ASP235 4.5 22.2 1.0 CG A:GLU188 4.5 25.1 1.0 N A:SER222 4.5 22.1 1.0 CB A:ASP181 4.5 25.0 1.0 CA A:SER222 4.5 25.2 1.0 CB A:ASP179 4.6 34.0 1.0 CB A:SER221 4.7 23.1 1.0 N A:GLU224 4.7 28.4 1.0 O A:PRO223 4.9 27.7 1.0 CB A:LYS225 5.0 22.9 1.0

A.Ganesan, A.Siekierska, J.Beerten, M.Brams, J.Van Durme, G.De Baets, R.Van Der Kant, R.Gallardo, M.Ramakers, T.Langenberg, H.Wilkinson, F.De Smet, C.Ulens, F.Rousseau, J.Schymkowitz. Structural Hot Spots For the Solubility of Globular Proteins Nat.Commun. V. 7 10816 2016.
ISSN: ISSN 2041-1723
PubMed: 26905391
DOI: 10.1038/NCOMMS10816