Calcium in PDB 9bs5: Bacteroides Ovatus GH97C Sus

The structure of Bacteroides Ovatus GH97C Sus, PDB code: 9bs5 was solved by H.A.Brown, N.M.Koropatkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.26 / 1.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.855, 116.528, 144.004, 90, 90, 90
R / Rfree (%)	20.4 / 22.4

The structure of Bacteroides Ovatus GH97C Sus also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Calcium atom in the Bacteroides Ovatus GH97C Sus (pdb code 9bs5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bacteroides Ovatus GH97C Sus, PDB code: 9bs5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacteroides Ovatus GH97C Sus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacteroides Ovatus GH97C Sus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca812 b:13.3 occ:1.00 OE2 A:GLU508 2.3 10.8 1.0 OE1 A:GLU526 2.3 11.7 1.0 OE2 A:GLU194 2.4 10.5 1.0 OE2 A:GLU532 2.4 11.1 1.0 O2B G:AC12 2.4 11.9 1.0 O3 G:AC12 2.5 13.6 1.0 N4A G:AC12 2.8 12.3 1.0 C1B G:AC12 3.2 12.2 1.0 CD A:GLU532 3.3 11.3 1.0 C2B G:AC12 3.3 12.2 1.0 C3 G:AC12 3.3 12.6 1.0 CD A:GLU194 3.4 10.3 1.0 CD A:GLU526 3.4 11.7 1.0 OE1 A:GLU532 3.5 13.3 1.0 CD A:GLU508 3.5 10.0 1.0 C4 G:AC12 3.6 12.9 1.0 OE1 A:GLU194 3.7 10.8 1.0 OE2 A:GLU526 3.8 12.1 1.0 O A:HOH1189 4.0 13.0 1.0 O A:HOH1274 4.0 17.4 1.0 CG A:GLU508 4.2 10.0 1.0 ND1 A:HIS507 4.4 9.7 1.0 OE1 A:GLU508 4.5 10.5 1.0 C3B G:AC12 4.5 12.3 1.0 CG A:GLU194 4.7 10.2 1.0 CG A:GLU526 4.7 11.7 1.0 C7B G:AC12 4.7 12.6 1.0 CG A:GLU532 4.7 11.0 1.0 C2 G:AC12 4.8 13.4 1.0 CB A:HIS507 4.9 9.4 1.0 C5 G:AC12 4.9 13.4 1.0 O A:HOH973 5.0 18.2 1.0

Calcium binding site 2 out of 2 in the Bacteroides Ovatus GH97C Sus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacteroides Ovatus GH97C Sus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca809 b:13.0 occ:1.00 OE2 B:GLU508 2.3 10.6 1.0 OE2 B:GLU194 2.4 10.8 1.0 OE1 B:GLU526 2.4 11.3 1.0 OE2 B:GLU532 2.4 11.0 1.0 O2B F:AC12 2.4 11.0 1.0 O3 F:AC12 2.5 13.2 1.0 N4A F:AC12 2.7 12.3 1.0 C1B F:AC12 3.2 12.2 1.0 C3 F:AC12 3.3 13.0 1.0 CD B:GLU532 3.3 12.0 1.0 C2B F:AC12 3.3 11.8 1.0 CD B:GLU526 3.4 11.7 1.0 CD B:GLU194 3.4 11.0 1.0 CD B:GLU508 3.5 9.7 1.0 OE1 B:GLU532 3.5 13.8 1.0 C4 F:AC12 3.5 13.0 1.0 OE2 B:GLU526 3.7 12.1 1.0 OE1 B:GLU194 3.8 11.2 1.0 O B:HOH1237 4.0 13.1 1.0 O B:HOH1129 4.1 18.0 1.0 CG B:GLU508 4.2 9.7 1.0 ND1 B:HIS507 4.5 9.8 1.0 OE1 B:GLU508 4.5 10.3 1.0 C3B F:AC12 4.6 11.9 1.0 C7B F:AC12 4.7 12.1 1.0 CG B:GLU194 4.7 10.9 1.0 CG B:GLU526 4.7 11.8 1.0 CG B:GLU532 4.7 11.5 1.0 C2 F:AC12 4.7 13.3 1.0 C5 F:AC12 4.9 13.5 1.0 CB B:HIS507 4.9 9.3 1.0 O B:HOH1003 5.0 14.5 1.0 O B:HOH947 5.0 16.9 1.0

H.A.Brown, N.M.Koropatkin. Bacteroides Ovatus GH97C Sus To Be Published.