Nickel in PDB 5jou: Bacteroides Ovatus Xyloglucan Pul GH31

All present enzymatic activity of Bacteroides Ovatus Xyloglucan Pul GH31:
3.2.1.177;

The structure of Bacteroides Ovatus Xyloglucan Pul GH31, PDB code: 5jou was solved by A.J.Thompson, G.R.Hemsworth, 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)	48.35 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.892, 109.020, 145.064, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 18.4

The binding sites of Nickel atom in the Bacteroides Ovatus Xyloglucan Pul GH31 (pdb code 5jou). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Bacteroides Ovatus Xyloglucan Pul GH31, PDB code: 5jou:

Nickel binding site 1 out of 1 in the Bacteroides Ovatus Xyloglucan Pul GH31


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Bacteroides Ovatus Xyloglucan Pul GH31 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1001 b:21.6 occ:1.00 NE2 A:HIS541 2.1 17.9 1.0 NE2 A:HIS491 2.1 16.6 1.0 CE1 A:HIS491 3.1 16.1 1.0 CE1 A:HIS541 3.1 17.5 1.0 CD2 A:HIS541 3.1 17.2 1.0 CD2 A:HIS491 3.1 15.7 1.0 O A:HOH1284 4.1 21.3 1.0 OE1 A:GLU540 4.2 22.4 0.7 ND1 A:HIS541 4.2 18.2 1.0 ND1 A:HIS491 4.2 15.7 1.0 CG A:HIS541 4.2 16.6 1.0 CG A:HIS491 4.3 15.5 1.0 O A:HOH2177 4.5 20.8 1.0 CB A:GLU540 5.0 15.6 0.3

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