Calcium in PDB 4h2a: Crystal Structure of Wild Type Protective Antigen to 1.62 A (pH 7.5)

The structure of Crystal Structure of Wild Type Protective Antigen to 1.62 A (pH 7.5), PDB code: 4h2a was solved by P.J.Baker, F.J.Sorrell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.62 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.050, 94.090, 117.390, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21.9

The binding sites of Calcium atom in the Crystal Structure of Wild Type Protective Antigen to 1.62 A (pH 7.5) (pdb code 4h2a). 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 Wild Type Protective Antigen to 1.62 A (pH 7.5), PDB code: 4h2a:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Wild Type Protective Antigen to 1.62 A (pH 7.5)


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 Wild Type Protective Antigen to 1.62 A (pH 7.5) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca805 b:16.4 occ:1.00 O A:SER222 2.3 17.1 1.0 OD2 A:ASP235 2.3 14.2 1.0 OD2 A:ASP181 2.4 16.5 1.0 O A:LYS225 2.4 14.6 1.0 OD2 A:ASP179 2.4 15.4 1.0 OE2 A:GLU188 2.4 16.4 1.0 OE1 A:GLU188 2.8 16.3 1.0 CD A:GLU188 3.0 17.1 1.0 CG A:ASP235 3.4 16.8 1.0 CG A:ASP179 3.4 18.4 1.0 C A:LYS225 3.5 14.9 1.0 C A:SER222 3.5 16.9 1.0 CG A:ASP181 3.5 17.2 1.0 OD1 A:ASP179 3.9 17.5 1.0 OG1 A:THR228 4.0 14.1 1.0 CB A:ASP235 4.0 14.2 1.0 OD1 A:ASP181 4.1 16.1 1.0 O A:TRP226 4.1 14.4 1.0 N A:TRP226 4.2 16.1 1.0 CA A:PRO223 4.3 16.9 1.0 CA A:CA806 4.3 17.8 1.0 CA A:TRP226 4.3 14.8 1.0 N A:LYS225 4.3 15.3 1.0 C A:TRP226 4.3 14.1 1.0 N A:PRO223 4.3 15.6 1.0 N A:SER222 4.5 15.9 1.0 OD1 A:ASP235 4.5 15.1 1.0 CG A:GLU188 4.5 15.7 1.0 CA A:LYS225 4.5 15.3 1.0 CA A:SER222 4.5 17.1 1.0 OG A:SER221 4.5 17.8 1.0 C A:PRO223 4.6 17.4 1.0 CB A:ASP181 4.6 15.7 1.0 CB A:ASP179 4.6 16.0 1.0 CB A:SER221 4.7 17.4 1.0 N A:GLU224 4.9 17.2 1.0 O A:PRO223 5.0 20.2 1.0 C A:SER221 5.0 17.6 1.0 CB A:SER222 5.0 16.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Wild Type Protective Antigen to 1.62 A (pH 7.5)


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 Wild Type Protective Antigen to 1.62 A (pH 7.5) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca806 b:17.8 occ:1.00 OD1 A:ASP177 2.3 17.9 1.0 OE1 A:GLU188 2.3 16.3 1.0 O A:HOH908 2.4 21.6 1.0 O A:ILE183 2.4 18.1 1.0 OD1 A:ASP181 2.4 16.1 1.0 OD1 A:ASP179 2.4 17.5 1.0 CG A:ASP181 3.3 17.2 1.0 CG A:ASP179 3.3 18.4 1.0 CD A:GLU188 3.5 17.1 1.0 C A:ILE183 3.5 16.8 1.0 CG A:ASP177 3.5 19.8 1.0 OD2 A:ASP181 3.6 16.5 1.0 OD2 A:ASP179 3.6 15.4 1.0 N A:ILE183 3.8 18.0 1.0 CA A:ILE183 4.0 17.3 1.0 CG A:GLU188 4.2 15.7 1.0 CB A:ILE183 4.2 15.6 1.0 N A:ASP181 4.2 17.2 1.0 CA A:CA805 4.3 16.4 1.0 CA A:ASP177 4.3 18.7 1.0 OD2 A:ASP177 4.3 23.2 1.0 OE2 A:GLU188 4.4 16.4 1.0 CB A:ASP177 4.4 17.3 1.0 N A:GLY182 4.4 15.8 1.0 O A:PRO223 4.5 20.2 1.0 CB A:ASP181 4.5 15.7 1.0 N A:ASP179 4.6 18.8 1.0 C A:ASP177 4.6 18.2 1.0 C A:PRO184 4.6 18.2 1.0 OD1 A:ASP185 4.6 23.2 1.0 N A:PRO184 4.6 18.8 1.0 CA A:PRO223 4.6 16.9 1.0 N A:ASP185 4.6 19.0 1.0 CB A:ASP179 4.7 16.0 1.0 CA A:ASP181 4.7 17.6 1.0 N A:ASN180 4.7 18.9 1.0 N A:ARG178 4.8 20.3 1.0 C A:GLY182 4.8 22.1 1.0 CA A:PRO184 4.8 19.3 1.0 O A:PRO184 4.9 18.0 1.0 C A:ASP181 4.9 14.9 1.0 C A:PRO223 4.9 17.4 1.0 CA A:ASP179 5.0 17.4 1.0

F.J.Sorrell, H.F.Rodgers, P.J.Baker, B.Chen. Crystal Structure of Wild Type Protective Antigen to 1.62 A (pH 7.5) To Be Published.