Calcium in PDB 1t6b: Crystal Structure of B. Anthracis Protective Antigen Complexed with Human Anthrax Toxin Receptor

The structure of Crystal Structure of B. Anthracis Protective Antigen Complexed with Human Anthrax Toxin Receptor, PDB code: 1t6b was solved by E.Santelli, L.A.Bankston, S.H.Leppla, R.C.Liddington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.160, 94.118, 135.597, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 26.6

The structure of Crystal Structure of B. Anthracis Protective Antigen Complexed with Human Anthrax Toxin Receptor also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of B. Anthracis Protective Antigen Complexed with Human Anthrax Toxin Receptor (pdb code 1t6b). 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 B. Anthracis Protective Antigen Complexed with Human Anthrax Toxin Receptor, PDB code: 1t6b:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of B. Anthracis Protective Antigen Complexed with Human Anthrax Toxin Receptor


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 B. Anthracis Protective Antigen Complexed with Human Anthrax Toxin Receptor within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca800 b:29.9 occ:1.00 OD1 X:ASP177 2.3 33.7 1.0 OD1 X:ASP181 2.3 16.2 1.0 OE2 X:GLU188 2.3 18.9 1.0 OD1 X:ASP179 2.4 17.3 1.0 O X:ILE183 2.4 17.6 1.0 CG X:ASP181 3.2 15.6 1.0 CG X:ASP179 3.3 17.8 1.0 OD2 X:ASP179 3.5 16.6 1.0 CG X:ASP177 3.5 30.9 1.0 C X:ILE183 3.5 18.4 1.0 CD X:GLU188 3.5 19.1 1.0 OD2 X:ASP181 3.6 17.2 1.0 OD1 X:ASP185 3.8 31.2 1.0 N X:ILE183 3.8 18.7 1.0 OD2 X:ASP177 4.1 32.6 1.0 CA X:ILE183 4.1 18.5 1.0 N X:ASP181 4.1 16.1 1.0 CG X:GLU188 4.3 17.0 1.0 N X:ASP179 4.3 21.8 1.0 CB X:ILE183 4.4 18.2 1.0 CA X:CA801 4.4 26.4 1.0 N X:ASP185 4.4 19.2 1.0 CA X:ASP177 4.4 29.8 1.0 N X:GLY182 4.4 17.8 1.0 CB X:ASP181 4.5 16.0 1.0 OE1 X:GLU188 4.5 17.3 1.0 CB X:ASP177 4.5 29.3 1.0 O X:PRO223 4.5 15.6 1.0 N X:PRO184 4.6 18.7 1.0 C X:PRO184 4.6 19.2 1.0 C X:ASP177 4.6 28.6 1.0 CB X:ASP179 4.6 19.2 1.0 N X:ASN180 4.6 17.4 1.0 CA X:ASP181 4.7 16.0 1.0 CA X:PRO223 4.7 16.1 1.0 N X:ARG178 4.8 26.7 1.0 C X:GLY182 4.8 19.1 1.0 CA X:PRO184 4.8 19.2 1.0 CA X:ASP179 4.8 19.3 1.0 C X:ASP179 4.9 18.3 1.0 C X:ASP181 4.9 17.3 1.0 CA X:ASP185 4.9 20.3 1.0 O X:PRO184 5.0 19.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of B. Anthracis Protective Antigen Complexed with Human Anthrax Toxin Receptor


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 B. Anthracis Protective Antigen Complexed with Human Anthrax Toxin Receptor within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca801 b:26.4 occ:1.00 OD2 X:ASP181 2.3 17.2 1.0 OD2 X:ASP235 2.3 15.6 1.0 OD2 X:ASP179 2.3 16.6 1.0 O X:SER222 2.4 16.9 1.0 O X:LYS225 2.4 13.5 1.0 OE1 X:GLU188 2.5 17.3 1.0 OE2 X:GLU188 3.0 18.9 1.0 CD X:GLU188 3.1 19.1 1.0 CG X:ASP235 3.3 16.7 1.0 CG X:ASP179 3.4 17.8 1.0 CG X:ASP181 3.4 15.6 1.0 C X:LYS225 3.5 13.3 1.0 C X:SER222 3.6 16.6 1.0 OD1 X:ASP179 3.9 17.3 1.0 CB X:ASP235 3.9 14.6 1.0 OG1 X:THR228 4.1 12.1 1.0 OD1 X:ASP181 4.1 16.2 1.0 O X:TRP226 4.1 8.8 1.0 N X:TRP226 4.2 12.5 1.0 N X:LYS225 4.3 15.2 1.0 CA X:TRP226 4.3 10.7 1.0 OD1 X:ASP235 4.3 14.4 1.0 C X:TRP226 4.4 9.8 1.0 CA X:PRO223 4.4 16.1 1.0 N X:PRO223 4.4 16.9 1.0 CA X:CA800 4.4 29.9 1.0 CB X:ASP181 4.4 16.0 1.0 N X:SER222 4.4 16.8 1.0 CA X:LYS225 4.4 14.7 1.0 CB X:SER221 4.5 17.7 1.0 CA X:SER222 4.5 16.5 1.0 CB X:ASP179 4.6 19.2 1.0 CG X:GLU188 4.6 17.0 1.0 OG X:SER221 4.7 18.0 1.0 C X:PRO223 4.7 15.8 1.0 C X:SER221 4.9 17.4 1.0

E.Santelli, L.A.Bankston, S.H.Leppla, R.C.Liddington. Crystal Structure of A Complex Between Anthrax Toxin and Its Host Cell Receptor Nature V. 430 905 2004.
ISSN: ISSN 0028-0836
PubMed: 15243628
DOI: 10.1038/NATURE02763