Calcium in PDB 3tey: Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-A Resolution

The structure of Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-A Resolution, PDB code: 3tey was solved by G.K.Feld, B.A.Krantz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.86 / 2.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.563, 94.602, 119.804, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 23.4

The binding sites of Calcium atom in the Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-A Resolution (pdb code 3tey). 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 (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-A Resolution, PDB code: 3tey:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-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 (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca800 b:31.4 occ:1.00 OD1 A:ASP177 2.3 36.1 1.0 O A:ILE183 2.4 32.5 1.0 OE2 A:GLU188 2.4 28.1 1.0 OD1 A:ASP179 2.4 34.0 1.0 OD1 A:ASP181 2.4 30.4 1.0 O A:HOH802 2.7 30.9 1.0 CG A:ASP181 3.2 36.4 1.0 CG A:ASP179 3.3 33.3 1.0 OD2 A:ASP179 3.4 32.6 1.0 C A:ILE183 3.5 36.4 1.0 CD A:GLU188 3.5 34.7 1.0 OD2 A:ASP181 3.6 28.4 1.0 CG A:ASP177 3.6 36.3 1.0 N A:ILE183 3.9 31.1 1.0 CA A:ILE183 4.1 29.4 1.0 N A:ASP181 4.1 30.3 1.0 CB A:ILE183 4.2 29.8 1.0 CA A:CA801 4.2 30.5 1.0 CG A:GLU188 4.3 31.2 1.0 O A:PRO223 4.3 34.4 1.0 OD2 A:ASP177 4.3 39.4 1.0 CA A:ASP177 4.4 40.4 1.0 N A:GLY182 4.4 35.2 1.0 OE1 A:GLU188 4.4 34.8 1.0 CB A:ASP181 4.5 28.1 1.0 N A:ASP179 4.5 36.2 1.0 CB A:ASP177 4.5 39.8 1.0 C A:ASP177 4.6 34.5 1.0 CB A:ASP179 4.6 35.6 1.0 N A:PRO184 4.6 36.1 1.0 CA A:ASP181 4.6 32.1 1.0 N A:ASN180 4.6 36.0 1.0 C A:PRO184 4.6 38.4 1.0 OD1 A:ASP185 4.7 41.3 1.0 N A:ASP185 4.7 38.0 1.0 CA A:PRO223 4.7 32.5 1.0 N A:ARG178 4.8 39.2 1.0 C A:PRO223 4.8 37.7 1.0 C A:GLY182 4.9 32.3 1.0 C A:ASP181 4.9 32.8 1.0 CA A:PRO184 4.9 38.0 1.0 CA A:ASP179 4.9 34.6 1.0 O A:PRO184 4.9 36.2 1.0 C A:ASP179 5.0 33.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-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 (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:30.5 occ:1.00 OD2 A:ASP179 2.3 32.6 1.0 OD2 A:ASP181 2.3 28.4 1.0 OD2 A:ASP235 2.4 32.1 1.0 O A:SER222 2.4 30.2 1.0 OE1 A:GLU188 2.5 34.8 1.0 O A:LYS225 2.5 29.8 1.0 OE2 A:GLU188 2.8 28.1 1.0 CD A:GLU188 3.0 34.7 1.0 CG A:ASP179 3.4 33.3 1.0 CG A:ASP181 3.5 36.4 1.0 CG A:ASP235 3.5 29.2 1.0 C A:LYS225 3.5 31.1 1.0 C A:SER222 3.6 31.4 1.0 OD1 A:ASP179 3.9 34.0 1.0 CB A:ASP235 4.0 25.2 1.0 OG1 A:THR228 4.0 30.8 1.0 OD1 A:ASP181 4.1 30.4 1.0 O A:TRP226 4.1 30.4 1.0 CA A:CA800 4.2 31.4 1.0 N A:TRP226 4.3 27.3 1.0 N A:LYS225 4.3 37.1 1.0 CA A:TRP226 4.3 30.1 1.0 C A:TRP226 4.4 30.6 1.0 CA A:PRO223 4.4 32.5 1.0 N A:PRO223 4.4 29.2 1.0 CA A:LYS225 4.5 31.9 1.0 OG A:SER221 4.5 30.4 1.0 N A:SER222 4.5 34.4 1.0 CG A:GLU188 4.5 31.2 1.0 CB A:ASP179 4.5 35.6 1.0 C A:PRO223 4.5 37.7 1.0 OD1 A:ASP235 4.6 30.8 1.0 CB A:ASP181 4.6 28.1 1.0 CA A:SER222 4.6 34.6 1.0 CB A:SER221 4.6 30.5 1.0 N A:GLU224 4.8 33.4 1.0 O A:PRO223 4.9 34.4 1.0 C A:SER221 4.9 32.1 1.0

G.K.Feld, A.F.Kintzer, I.I.Tang, K.L.Thoren, B.A.Krantz. Domain Flexibility Modulates the Heterogeneous Assembly Mechanism of Anthrax Toxin Protective Antigen. J.Mol.Biol. V. 415 159 2012.
ISSN: ISSN 0022-2836
PubMed: 22063095
DOI: 10.1016/J.JMB.2011.10.035