Potassium in PDB 6q8n: GH10 Endo-Xylanase in Complex with Xylobiose Epoxide Inhibitor

All present enzymatic activity of GH10 Endo-Xylanase in Complex with Xylobiose Epoxide Inhibitor:
3.2.1.8;

The structure of GH10 Endo-Xylanase in Complex with Xylobiose Epoxide Inhibitor, PDB code: 6q8n was solved by G.J.Davies, R.J.Rowland, L.Wu, O.Moroz, E.Blagova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.57 / 1.76
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.120, 75.750, 221.990, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20.5

The binding sites of Potassium atom in the GH10 Endo-Xylanase in Complex with Xylobiose Epoxide Inhibitor (pdb code 6q8n). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the GH10 Endo-Xylanase in Complex with Xylobiose Epoxide Inhibitor, PDB code: 6q8n:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the GH10 Endo-Xylanase in Complex with Xylobiose Epoxide Inhibitor


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of GH10 Endo-Xylanase in Complex with Xylobiose Epoxide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:K517 b:28.9 occ:1.00 O A:THR291 2.6 24.3 1.0 O A:HOH625 2.7 35.0 1.0 O A:HOH825 2.8 35.2 1.0 O A:CYS288 2.8 24.5 1.0 O A:CYS294 2.8 27.9 1.0 O A:VAL289 3.5 28.2 1.0 CD2 A:LEU34 3.6 35.7 1.0 C A:THR291 3.6 25.6 1.0 C A:CYS288 3.9 28.3 1.0 C A:CYS294 3.9 25.6 1.0 C A:VAL289 4.0 28.4 1.0 N A:CYS294 4.2 22.6 1.0 CA A:VAL289 4.3 27.9 1.0 CB A:CYS294 4.3 28.4 1.0 N A:THR291 4.3 27.0 1.0 CA A:CYS294 4.3 24.6 1.0 N A:THR292 4.4 25.3 1.0 CA A:THR292 4.5 27.0 1.0 CA A:THR291 4.5 26.0 1.0 N A:VAL289 4.6 27.9 1.0 O A:HOH632 4.6 38.7 1.0 N A:GLY293 4.6 29.1 1.0 C A:THR292 4.9 26.9 1.0 N A:GLN290 4.9 26.5 1.0 SG A:CYS288 5.0 36.2 1.0 CG A:LEU34 5.0 33.2 1.0

Potassium binding site 2 out of 2 in the GH10 Endo-Xylanase in Complex with Xylobiose Epoxide Inhibitor


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of GH10 Endo-Xylanase in Complex with Xylobiose Epoxide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:K515 b:29.2 occ:1.00 O B:THR291 2.7 25.2 1.0 O B:CYS294 2.8 25.7 1.0 O B:HOH624 2.8 31.9 1.0 O B:HOH735 2.8 45.6 1.0 O B:CYS288 2.8 27.2 1.0 CD2 B:LEU34 3.5 34.2 1.0 O B:VAL289 3.6 28.5 1.0 C B:THR291 3.6 24.7 1.0 C B:CYS294 3.9 25.4 1.0 C B:CYS288 4.0 27.1 1.0 C B:VAL289 4.1 27.6 1.0 N B:CYS294 4.2 24.9 1.0 CB B:CYS294 4.2 27.2 1.0 CA B:VAL289 4.3 25.9 1.0 CA B:CYS294 4.3 24.7 1.0 N B:THR291 4.3 25.2 1.0 O B:HOH899 4.4 53.3 1.0 O B:HOH719 4.4 36.4 1.0 N B:THR292 4.4 25.3 1.0 CA B:THR292 4.5 26.6 1.0 N B:GLY293 4.5 28.1 1.0 CA B:THR291 4.6 25.5 1.0 N B:VAL289 4.6 27.5 1.0 C B:THR292 4.8 27.2 1.0 CG B:LEU34 4.8 29.5 1.0 SG B:CYS288 5.0 35.9 1.0 N B:GLN290 5.0 25.0 1.0

S.P.Schroder, C.De Boer, N.G.S.Mcgregor, R.J.Rowland, O.Moroz, E.Blagova, J.Reijngoud, M.Arentshorst, D.Osborn, M.D.Morant, E.Abbate, M.A.Stringer, K.B.R.M.Krogh, L.Raich, C.Rovira, J.G.Berrin, G.P.Van Wezel, A.F.J.Ram, B.I.Florea, G.A.Van Der Marel, J.D.C.Codee, K.S.Wilson, L.Wu, G.J.Davies, H.S.Overkleeft. Dynamic and Functional Profiling of Xylan-Degrading Enzymes Inaspergillussecretomes Using Activity-Based Probes. Acs Cent.Sci. V. 5 1067 2019.
ISSN: ESSN 2374-7951
PubMed: 31263766
DOI: 10.1021/ACSCENTSCI.9B00221