Calcium in PDB 5joz: Bacteroides Ovatus Xyloglucan Pul GH43B

All present enzymatic activity of Bacteroides Ovatus Xyloglucan Pul GH43B:
3.2.1.55;

The structure of Bacteroides Ovatus Xyloglucan Pul GH43B, PDB code: 5joz was solved by G.R.Hemsworth, A.J.Thompson, J.Stepper, L.F.Sobala, T.Coyle, J.Larsbrink, O.Spadiut, K.A.Stubbs, H.Brumer, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.19 / 2.28
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.460, 71.400, 160.300, 90.00, 94.78, 90.00
R / Rfree (%)	19.2 / 25

The binding sites of Calcium atom in the Bacteroides Ovatus Xyloglucan Pul GH43B (pdb code 5joz). 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 Xyloglucan Pul GH43B, PDB code: 5joz:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacteroides Ovatus Xyloglucan Pul GH43B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacteroides Ovatus Xyloglucan Pul GH43B within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:32.5 occ:1.00 O A:GLY363 2.3 25.0 1.0 O A:ASP335 2.3 28.3 1.0 O A:ASP521 2.4 28.3 1.0 O A:HOH707 2.4 37.6 1.0 OD1 A:ASP521 2.4 40.0 1.0 O A:HOH813 2.4 34.1 1.0 C A:ASP521 3.4 30.6 1.0 C A:ASP335 3.4 28.4 1.0 C A:GLY363 3.5 26.8 1.0 CG A:ASP521 3.5 35.4 1.0 CA A:ASP335 3.9 28.0 1.0 CA A:ASP521 3.9 30.8 1.0 CB A:ASP335 4.0 34.0 1.0 CA A:GLY363 4.1 27.4 1.0 CB A:ASP521 4.3 33.5 1.0 OD2 A:ASP521 4.4 37.9 1.0 OD1 A:ASP335 4.5 47.1 1.0 N A:TRP522 4.5 30.8 1.0 N A:PHE336 4.6 30.1 1.0 O A:PHE336 4.6 23.4 1.0 N A:SER364 4.6 23.0 1.0 C A:PHE336 4.7 27.5 1.0 CG A:ASP335 4.7 44.8 1.0 CB A:TRP522 4.7 28.6 1.0 CB A:PHE336 4.8 29.9 1.0 CA A:TRP522 4.9 28.0 1.0 CB A:ASP337 4.9 33.9 1.0 CA A:SER364 4.9 24.9 1.0 CA A:PHE336 4.9 28.4 1.0

Calcium binding site 2 out of 2 in the Bacteroides Ovatus Xyloglucan Pul GH43B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacteroides Ovatus Xyloglucan Pul GH43B within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:34.0 occ:1.00 O B:HOH703 2.3 31.0 1.0 O B:GLY363 2.3 26.2 1.0 O B:ASP521 2.4 35.2 1.0 O B:HOH786 2.4 34.5 1.0 O B:ASP335 2.4 34.8 1.0 OD1 B:ASP521 2.4 44.8 1.0 C B:ASP521 3.3 35.9 1.0 C B:GLY363 3.4 29.5 1.0 C B:ASP335 3.5 33.6 1.0 CG B:ASP521 3.6 38.0 1.0 CA B:ASP521 3.8 31.5 1.0 CA B:ASP335 4.0 32.0 1.0 CA B:GLY363 4.1 32.5 1.0 CB B:ASP335 4.2 40.4 1.0 CB B:ASP521 4.3 38.3 1.0 OD1 B:ASP335 4.4 44.7 1.0 N B:TRP522 4.4 35.6 1.0 N B:SER364 4.5 29.8 1.0 OD2 B:ASP521 4.5 46.5 1.0 N B:PHE336 4.6 36.5 1.0 O B:PHE336 4.6 31.0 1.0 C B:PHE336 4.7 32.2 1.0 CB B:PHE336 4.7 33.8 1.0 CA B:SER364 4.8 34.4 1.0 CB B:TRP522 4.8 34.3 1.0 CG B:ASP335 4.8 44.3 1.0 CA B:TRP522 4.8 32.3 1.0 CA B:PHE336 4.9 31.3 1.0

G.R.Hemsworth, A.J.Thompson, J.Stepper, F.Sobala, T.Coyle, J.Larsbrink, O.Spadiut, E.D.Goddard-Borger, K.A.Stubbs, H.Brumer, G.J.Davies. Structural Dissection of A Complex Bacteroides Ovatus Gene Locus Conferring Xyloglucan Metabolism in the Human Gut. Open Biology V. 6 2016.
ISSN: ESSN 2046-2441
PubMed: 27466444
DOI: 10.1098/RSOB.160142