Potassium in PDB 6q7i: GH3 Exo-Beta-Xylosidase (Xlnd)

All present enzymatic activity of GH3 Exo-Beta-Xylosidase (Xlnd):
3.2.1.37;

The structure of GH3 Exo-Beta-Xylosidase (Xlnd), PDB code: 6q7i 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)	33.24 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.470, 90.580, 244.370, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 19.3

The binding sites of Potassium atom in the GH3 Exo-Beta-Xylosidase (Xlnd) (pdb code 6q7i). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the GH3 Exo-Beta-Xylosidase (Xlnd), PDB code: 6q7i:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the GH3 Exo-Beta-Xylosidase (Xlnd)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of GH3 Exo-Beta-Xylosidase (Xlnd) within 5.0Å range: probe atom residue distance (Å) B Occ B:K928 b:32.8 occ:1.00 O B:PRO434 2.6 24.3 1.0 O B:ASN437 2.6 25.5 1.0 O B:HOH1720 2.7 34.2 1.0 O B:HOH1221 2.8 23.9 1.0 O B:HOH1603 2.8 30.2 1.0 O B:HOH1592 3.0 35.1 1.0 O B:HOH1526 3.6 35.3 1.0 C B:PRO434 3.6 24.3 1.0 C B:ASN437 3.7 24.2 1.0 CA B:PRO434 4.1 23.5 1.0 O B:HOH1417 4.2 43.6 1.0 N B:ASN437 4.2 23.3 1.0 CD1 B:LEU471 4.3 29.9 1.0 CG1 B:VAL438 4.3 22.6 1.0 CA B:ASN437 4.3 24.6 1.0 CB B:ASN437 4.3 23.7 1.0 O B:HOH1554 4.6 33.0 1.0 O B:HOH1072 4.7 27.8 1.0 O B:HOH1621 4.7 41.1 1.0 N B:VAL438 4.7 26.4 1.0 N B:TRP435 4.8 23.2 1.0 OH B:TYR469 4.8 28.4 1.0 O B:GLY433 4.8 23.7 1.0 CB B:PRO434 4.9 25.7 1.0

Potassium binding site 2 out of 4 in the GH3 Exo-Beta-Xylosidase (Xlnd)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of GH3 Exo-Beta-Xylosidase (Xlnd) within 5.0Å range: probe atom residue distance (Å) B Occ B:K929 b:39.7 occ:1.00 O B:HOH1744 3.0 37.1 1.0 OH B:TYR624 3.1 25.3 1.0 O B:HOH1860 3.2 44.0 1.0 CA B:TYR597 3.8 20.6 1.0 CE1 B:TYR624 3.9 24.1 1.0 CZ B:TYR624 3.9 21.3 1.0 N B:TYR597 4.0 20.2 1.0 CB B:TYR597 4.0 20.9 1.0 CD1 B:TYR597 4.1 20.9 1.0 O B:HOH1577 4.1 37.8 1.0 CG B:PRO594 4.4 24.3 1.0 CG B:PRO617 4.5 21.6 1.0 CG2 B:VAL600 4.5 28.2 1.0 CG B:TYR597 4.5 19.8 1.0 C B:GLU596 4.6 22.0 1.0 CB B:PRO617 4.7 23.9 1.0 O B:GLU596 4.9 24.7 1.0

Potassium binding site 3 out of 4 in the GH3 Exo-Beta-Xylosidase (Xlnd)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of GH3 Exo-Beta-Xylosidase (Xlnd) within 5.0Å range: probe atom residue distance (Å) B Occ B:K930 b:37.4 occ:1.00 O B:HOH1564 3.1 24.4 1.0 O A:HOH1930 3.1 29.7 1.0 O B:HOH1458 3.2 33.1 1.0 N B:SER664 3.2 21.0 1.0 O B:HOH1859 3.4 51.9 1.0 CB B:SER664 3.6 24.2 1.0 C B:PRO662 3.6 21.6 1.0 O B:PRO662 3.6 20.8 1.0 CB B:PRO662 3.8 21.1 1.0 N B:HIS663 3.9 20.1 1.0 CA B:SER664 4.0 21.7 1.0 CA B:HIS663 4.1 20.3 1.0 C B:HIS663 4.1 20.0 1.0 CA B:PRO662 4.3 20.7 1.0 O B:SER664 4.5 22.9 1.0 CG B:PRO662 4.6 19.9 1.0 CD B:PRO662 4.8 21.1 1.0 C B:SER664 4.8 23.2 1.0 N B:PRO662 4.9 19.7 1.0 OG B:SER664 4.9 28.1 1.0

Potassium binding site 4 out of 4 in the GH3 Exo-Beta-Xylosidase (Xlnd)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of GH3 Exo-Beta-Xylosidase (Xlnd) within 5.0Å range: probe atom residue distance (Å) B Occ A:K929 b:28.6 occ:1.00 O A:HOH1829 3.1 36.2 1.0 OH A:TYR624 3.2 18.9 1.0 O A:HOH1937 3.2 35.8 1.0 CA A:TYR597 3.8 18.0 1.0 CE1 A:TYR624 3.9 15.7 1.0 CZ A:TYR624 3.9 17.0 1.0 N A:TYR597 4.0 17.4 1.0 CB A:TYR597 4.0 16.5 1.0 CD1 A:TYR597 4.1 16.4 1.0 O A:HOH1628 4.3 30.9 1.0 CG A:PRO617 4.4 19.2 1.0 C A:GLU596 4.5 16.6 1.0 CG A:PRO594 4.5 21.3 1.0 CG1 A:VAL600 4.5 20.1 1.0 CG A:TYR597 4.5 16.4 1.0 CB A:PRO617 4.7 20.3 1.0 O A:GLU596 4.9 17.5 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