Potassium in PDB 5ohy: A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq

All present enzymatic activity of A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq:
3.2.1.20;

The structure of A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq, PDB code: 5ohy was solved by Y.Jin, S.J.Williams, E.Goddard-Borger, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.70 / 1.77
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	98.290, 168.820, 101.390, 90.00, 117.07, 90.00
R / Rfree (%)	17.7 / 19.5

The binding sites of Potassium atom in the A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq (pdb code 5ohy). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq, PDB code: 5ohy:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq within 5.0Å range: probe atom residue distance (Å) B Occ A:K701 b:33.2 occ:1.00 O A:ASP455 2.4 22.8 1.0 O A:HOH1164 2.5 24.9 1.0 OD1 A:ASP464 2.6 18.6 1.0 O A:GLY137 2.6 22.0 1.0 O A:HOH1227 2.7 26.8 1.0 O A:HOH816 3.1 23.2 1.0 CG A:ASP464 3.3 18.4 1.0 OD2 A:ASP464 3.3 20.4 1.0 C A:ASP455 3.6 19.5 1.0 CG A:PRO136 3.7 21.4 1.0 C A:GLY137 3.8 19.7 1.0 O A:HOH1000 3.9 23.7 1.0 CD A:ARG140 4.0 18.5 1.0 CB A:PRO136 4.3 21.1 1.0 CA A:GLN456 4.3 20.0 1.0 N A:GLN456 4.4 20.2 1.0 N A:GLY137 4.5 19.4 1.0 CB A:ASP455 4.5 20.1 1.0 O A:HOH1010 4.6 18.9 1.0 CA A:ASP455 4.6 19.4 1.0 N A:VAL138 4.6 20.2 1.0 CG A:ARG140 4.7 18.0 1.0 O A:HOH950 4.7 28.1 1.0 CA A:VAL138 4.7 19.6 1.0 C A:PRO136 4.7 19.1 1.0 CB A:ASP464 4.7 18.4 1.0 CA A:GLY137 4.7 20.5 1.0 C A:GLN456 4.8 19.3 1.0 CD A:PRO136 4.9 20.9 1.0 O A:HOH842 4.9 24.2 1.0 N A:SER457 5.0 19.3 1.0

Potassium binding site 2 out of 4 in the A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq within 5.0Å range: probe atom residue distance (Å) B Occ B:K701 b:32.8 occ:1.00 O B:ASP455 2.4 21.5 1.0 OD1 B:ASP464 2.5 23.3 1.0 O B:HOH1220 2.6 28.4 1.0 O B:GLY137 2.6 18.6 1.0 O B:HOH1146 2.7 24.5 1.0 O B:HOH947 2.9 20.5 1.0 CG B:ASP464 3.2 21.6 1.0 OD2 B:ASP464 3.2 21.2 1.0 C B:ASP455 3.6 19.8 1.0 CG B:PRO136 3.8 21.0 1.0 C B:GLY137 3.9 18.1 1.0 O B:HOH977 3.9 24.3 1.0 CD B:ARG140 4.0 21.2 1.0 CA B:GLN456 4.3 19.6 1.0 N B:GLN456 4.4 19.4 1.0 CB B:PRO136 4.4 20.0 1.0 CB B:ASP455 4.6 20.7 1.0 O B:HOH929 4.6 29.9 1.0 N B:GLY137 4.6 18.4 1.0 CB B:ASP464 4.6 20.5 1.0 CA B:ASP455 4.6 20.4 1.0 CA B:VAL138 4.7 19.1 1.0 CG B:ARG140 4.7 21.7 1.0 N B:VAL138 4.7 18.9 1.0 C B:GLN456 4.7 20.7 1.0 O B:HOH944 4.8 21.5 1.0 C B:PRO136 4.8 18.4 1.0 CA B:GLY137 4.8 17.8 1.0 N B:SER457 4.9 20.1 1.0 O B:HOH859 5.0 21.7 1.0 CD B:PRO136 5.0 20.6 1.0

Potassium binding site 3 out of 4 in the A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq within 5.0Å range: probe atom residue distance (Å) B Occ C:K701 b:34.4 occ:1.00 O C:ASP455 2.4 22.2 1.0 OD1 C:ASP464 2.5 23.1 1.0 O C:GLY137 2.5 22.9 1.0 O C:HOH1155 2.6 27.2 1.0 O C:HOH1119 2.7 22.2 1.0 O C:HOH921 3.0 25.1 1.0 OD2 C:ASP464 3.2 22.0 1.0 CG C:ASP464 3.2 21.5 1.0 C C:ASP455 3.6 19.4 1.0 CG C:PRO136 3.7 19.1 1.0 C C:GLY137 3.8 22.3 1.0 CD C:ARG140 3.9 21.7 1.0 O C:HOH950 4.0 21.4 1.0 CB C:PRO136 4.3 20.6 1.0 CA C:GLN456 4.4 19.7 1.0 N C:GLN456 4.4 18.9 1.0 O C:HOH865 4.5 30.5 1.0 N C:GLY137 4.5 21.4 1.0 CG C:ARG140 4.6 20.7 1.0 CB C:ASP455 4.6 20.2 1.0 CA C:VAL138 4.6 21.4 1.0 N C:VAL138 4.6 21.5 1.0 CA C:ASP455 4.7 20.1 1.0 CB C:ASP464 4.7 20.9 1.0 O C:HOH944 4.7 23.2 1.0 C C:PRO136 4.7 21.4 1.0 CA C:GLY137 4.7 22.4 1.0 C C:GLN456 4.8 20.4 1.0 CD C:PRO136 4.9 19.7 1.0 N C:SER457 4.9 21.3 1.0 NE C:ARG140 4.9 22.4 1.0 O C:HOH847 5.0 25.1 1.0

Potassium binding site 4 out of 4 in the A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of A GH31 Family Sulfoquinovosidase in Complex with Aza-Sugar Inhibitor Ifgsq within 5.0Å range: probe atom residue distance (Å) B Occ D:K701 b:35.6 occ:1.00 O D:ASP455 2.5 26.5 1.0 OD1 D:ASP464 2.5 23.4 1.0 O D:GLY137 2.6 28.4 1.0 O D:HOH1119 2.6 28.9 1.0 O D:HOH1090 2.7 26.4 1.0 O D:HOH907 3.0 23.4 1.0 CG D:ASP464 3.3 23.5 1.0 OD2 D:ASP464 3.3 24.2 1.0 C D:ASP455 3.7 23.3 1.0 CG D:PRO136 3.7 28.2 1.0 C D:GLY137 3.8 26.7 1.0 O D:HOH974 3.9 29.0 1.0 CD D:ARG140 4.0 27.3 1.0 CB D:PRO136 4.3 27.7 1.0 CA D:GLN456 4.4 22.4 1.0 N D:GLN456 4.5 22.9 1.0 N D:GLY137 4.5 26.8 1.0 O D:HOH913 4.5 38.1 1.0 CG D:ARG140 4.6 26.7 1.0 CB D:ASP455 4.6 23.7 1.0 N D:VAL138 4.6 25.8 1.0 CA D:VAL138 4.7 25.7 1.0 CB D:ASP464 4.7 23.5 1.0 O D:HOH985 4.7 25.9 1.0 C D:PRO136 4.7 26.4 1.0 CA D:GLY137 4.7 27.0 1.0 CA D:ASP455 4.7 23.1 1.0 C D:GLN456 4.9 23.4 1.0 CD D:PRO136 4.9 28.3 1.0 N D:SER457 5.0 23.8 1.0 NE D:ARG140 5.0 27.3 1.0 O D:HOH849 5.0 23.0 1.0

P.Abayakoon, Y.Jin, J.P.Lingford, M.Petricevic, A.John, E.Ryan, J.Wai-Ying Mui, D.E.V.Pires, D.B.Ascher, G.J.Davies, E.D.Goddard-Borger, S.J.Williams. Structural and Biochemical Insights Into the Function and Evolution of Sulfoquinovosidases. Acs Cent Sci V. 4 1266 2018.
ISSN: ESSN 2374-7943
PubMed: 30276262
DOI: 10.1021/ACSCENTSCI.8B00453