Calcium in PDB 8opr: Structure of the EA1 Surface Layer of Bacillus Anthracis

The structure of Structure of the EA1 Surface Layer of Bacillus Anthracis, PDB code: 8opr was solved by A.Sogues, H.Remaut, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.37 / 1.81
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	72.927, 74.297, 87.649, 107.85, 101.14, 112.42
R / Rfree (%)	20.4 / 24.3

The binding sites of Calcium atom in the Structure of the EA1 Surface Layer of Bacillus Anthracis (pdb code 8opr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of the EA1 Surface Layer of Bacillus Anthracis, PDB code: 8opr:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of the EA1 Surface Layer of Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the EA1 Surface Layer of Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca906 b:25.6 occ:1.00 OD1 A:ASP411 2.3 21.4 1.0 OD1 A:ASP415 2.4 31.8 1.0 O A:VAL417 2.4 27.3 1.0 OD2 A:ASP428 2.4 24.3 1.0 OD1 A:ASP413 2.5 34.2 1.0 O A:HOH1075 2.5 18.6 1.0 OD1 A:ASP428 2.6 20.1 1.0 CG A:ASP428 2.8 21.2 1.0 CG A:ASP415 3.3 32.7 1.0 CG A:ASP411 3.4 23.3 1.0 CG A:ASP413 3.5 34.5 1.0 C A:VAL417 3.5 27.4 1.0 OD2 A:ASP415 3.6 36.7 1.0 OD2 A:ASP413 3.8 37.4 1.0 CA A:ASP411 4.1 20.1 1.0 N A:VAL417 4.2 29.4 1.0 CB A:ASP411 4.3 20.1 1.0 CA A:VAL417 4.3 28.8 1.0 OD2 A:ASP411 4.3 27.6 1.0 CB A:ASP428 4.3 20.8 1.0 N A:ASP415 4.4 30.1 1.0 O A:HOH1158 4.4 22.1 1.0 CB A:ASP415 4.5 29.9 1.0 CB A:VAL417 4.5 30.3 1.0 C A:ASP411 4.5 21.2 1.0 N A:VAL418 4.6 26.3 1.0 O A:SER425 4.6 27.4 1.0 CG2 A:VAL418 4.6 26.1 1.0 N A:ASP413 4.6 27.6 1.0 N A:ALA412 4.7 22.7 1.0 CA A:VAL418 4.8 26.2 1.0 CA A:ASP415 4.8 30.1 1.0 CB A:ASP413 4.8 30.8 1.0 N A:GLY416 5.0 30.0 1.0

Calcium binding site 2 out of 3 in the Structure of the EA1 Surface Layer of Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the EA1 Surface Layer of Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca907 b:38.2 occ:1.00 O A:VAL790 2.2 41.9 1.0 OD2 A:ASP795 2.3 38.9 1.0 OD1 A:ASP788 2.3 53.5 1.0 OD1 A:ASP784 2.3 33.4 1.0 OD1 A:ASN786 2.4 47.9 1.0 OD1 A:ASN792 2.7 45.8 1.0 CG A:ASP795 3.1 38.4 1.0 OD1 A:ASP795 3.1 37.7 1.0 CG A:ASP788 3.4 52.0 1.0 C A:VAL790 3.4 41.5 1.0 CG A:ASN786 3.5 46.6 1.0 CG A:ASP784 3.6 32.9 1.0 CG A:ASN792 3.6 45.8 1.0 ND2 A:ASN786 3.8 48.2 1.0 OD2 A:ASP788 3.9 56.0 1.0 ND2 A:ASN792 4.0 47.0 1.0 N A:ASN792 4.0 43.0 1.0 N A:VAL790 4.1 41.5 1.0 OD2 A:ASP784 4.3 32.9 1.0 CA A:VAL790 4.3 41.9 1.0 N A:PHE791 4.4 40.7 1.0 CA A:PHE791 4.4 40.5 1.0 CE1 A:TYR782 4.4 30.0 1.0 N A:ASP788 4.4 40.5 1.0 CB A:ASP795 4.5 38.4 1.0 CA A:ASP784 4.6 31.4 1.0 CB A:ASP784 4.6 32.3 1.0 C A:PHE791 4.6 42.2 1.0 O A:HOH1326 4.6 45.2 1.0 CB A:ASP788 4.7 44.2 1.0 CB A:ASN792 4.7 44.3 1.0 N A:ASN786 4.7 38.3 1.0 N A:ALA789 4.8 41.3 1.0 CA A:ASN792 4.8 44.5 1.0 CB A:ASN786 4.8 41.8 1.0 N A:GLY787 4.8 40.2 1.0 CA A:ASP788 4.9 41.5 1.0 CB A:VAL790 4.9 43.3 1.0 O A:ASN792 4.9 47.1 1.0 C A:ASP784 4.9 32.4 1.0 C A:ASP788 5.0 41.9 1.0 C A:ASN792 5.0 46.4 1.0

Calcium binding site 3 out of 3 in the Structure of the EA1 Surface Layer of Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of the EA1 Surface Layer of Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca908 b:29.6 occ:1.00 OD1 A:ASP567 2.2 30.4 1.0 O A:ILE551 2.4 28.4 1.0 O A:HOH1393 2.4 31.2 1.0 O A:THR548 2.5 29.4 1.0 OE2 A:GLU553 2.5 25.1 1.0 OE1 A:GLU553 2.6 28.6 1.0 O A:HOH1012 2.6 24.7 1.0 CD A:GLU553 2.9 28.4 1.0 CG A:ASP567 3.4 30.6 1.0 C A:THR548 3.5 29.1 1.0 C A:ILE551 3.5 28.0 1.0 CA A:THR548 3.9 29.3 1.0 OD2 A:ASP567 4.2 32.8 1.0 CA A:ILE551 4.3 27.4 1.0 N A:ILE551 4.3 27.1 1.0 CA A:ASP567 4.3 26.3 1.0 CG2 A:THR548 4.3 31.3 1.0 CB A:ILE551 4.4 27.0 1.0 N A:VAL568 4.4 24.7 1.0 CB A:ASP567 4.4 27.0 1.0 CG A:GLU553 4.4 27.6 1.0 O A:HOH1519 4.5 35.7 1.0 O A:ASN547 4.5 27.9 1.0 N A:LYS552 4.6 28.1 1.0 O A:HOH1524 4.7 42.0 1.0 C A:ASP567 4.7 25.6 1.0 O A:VAL568 4.7 24.8 1.0 CB A:THR548 4.7 31.7 1.0 CA A:LYS552 4.7 28.8 1.0 N A:ALA549 4.7 28.3 1.0 N A:GLU553 4.8 27.5 1.0 CG2 A:ILE551 5.0 26.6 1.0

A.Sogues, H.Remaut. Structure of the EA1 Surface Layer of Bacillus Anthracis To Be Published.