Potassium in PDB 8r56: Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz)

The structure of Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz), PDB code: 8r56 was solved by M.Sharma, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.55 / 2.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.524, 194.726, 117.654, 90, 92.29, 90
R / Rfree (%)	21.2 / 24.4

The binding sites of Potassium atom in the Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz) (pdb code 8r56). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz), PDB code: 8r56:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz) within 5.0Å range: probe atom residue distance (Å) B Occ A:K702 b:48.2 occ:1.00 O A:ASP473 2.4 17.4 1.0 O A:GLY155 2.6 24.8 1.0 O A:HOH859 2.7 14.4 1.0 OD1 A:ASP482 2.8 26.8 1.0 O A:HOH959 2.8 14.0 1.0 OD2 A:ASP482 3.4 24.4 1.0 CG A:ASP482 3.4 24.6 1.0 C A:ASP473 3.6 20.7 1.0 C A:GLY155 3.7 23.4 1.0 CG A:PRO154 3.8 21.7 1.0 CB A:ASP473 4.3 18.6 1.0 O A:HOH929 4.3 21.7 1.0 CA A:VAL156 4.4 24.8 1.0 N A:VAL156 4.4 25.5 1.0 CA A:GLN474 4.4 18.1 1.0 N A:GLN474 4.4 20.1 1.0 O A:HOH843 4.5 14.9 1.0 CA A:ASP473 4.5 19.4 1.0 N A:GLY155 4.5 20.8 1.0 CB A:PRO154 4.6 21.1 1.0 CD A:ARG158 4.6 21.4 1.0 CA A:GLY155 4.7 22.5 1.0 O A:HOH853 4.8 16.2 1.0 C A:GLN474 4.8 19.5 1.0 OG1 A:THR510 4.8 19.8 1.0 N A:SER475 4.8 20.0 1.0 CB A:ASP482 4.9 22.6 1.0 CD A:PRO154 4.9 20.4 1.0 O A:HOH931 4.9 24.6 1.0 C A:PRO154 4.9 21.2 1.0 CG2 A:VAL156 4.9 25.6 1.0 N A:ASP473 5.0 21.5 1.0

Potassium binding site 2 out of 4 in the Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz) within 5.0Å range: probe atom residue distance (Å) B Occ B:K702 b:44.4 occ:1.00 O B:ASP473 2.4 25.8 1.0 O B:GLY155 2.6 24.5 1.0 OD1 B:ASP482 2.6 23.8 1.0 CG B:ASP482 3.3 25.1 1.0 OD2 B:ASP482 3.4 27.7 1.0 C B:ASP473 3.5 25.2 1.0 CG B:PRO154 3.7 18.7 1.0 C B:GLY155 3.8 22.6 1.0 O B:HOH864 4.3 22.9 1.0 CA B:GLN474 4.3 23.1 1.0 CB B:ASP473 4.4 22.4 1.0 N B:GLN474 4.4 24.3 1.0 CA B:VAL156 4.5 24.2 1.0 CB B:PRO154 4.5 18.3 1.0 N B:VAL156 4.5 23.0 1.0 CA B:ASP473 4.5 25.3 1.0 CD B:ARG158 4.5 26.4 1.0 N B:GLY155 4.6 20.2 1.0 C B:GLN474 4.7 22.3 1.0 N B:SER475 4.8 22.3 1.0 CB B:ASP482 4.8 22.9 1.0 CA B:GLY155 4.8 20.6 1.0 CD B:PRO154 4.9 19.5 1.0 C B:PRO154 4.9 20.1 1.0 CG B:ARG158 5.0 28.6 1.0 OG1 B:THR510 5.0 27.8 1.0

Potassium binding site 3 out of 4 in the Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz) within 5.0Å range: probe atom residue distance (Å) B Occ C:K702 b:33.3 occ:1.00 O C:GLY155 2.4 24.0 1.0 O C:ASP473 2.5 19.8 1.0 O C:HOH920 2.5 22.3 1.0 OD1 C:ASP482 2.6 22.2 1.0 CG C:ASP482 3.4 20.6 1.0 OD2 C:ASP482 3.5 19.7 1.0 CG C:PRO154 3.6 21.7 1.0 C C:GLY155 3.6 23.7 1.0 C C:ASP473 3.7 18.2 1.0 CB C:PRO154 4.3 22.1 1.0 CD C:ARG158 4.3 18.4 1.0 N C:GLY155 4.4 22.1 1.0 N C:VAL156 4.5 24.0 1.0 CA C:GLN474 4.5 19.1 1.0 CA C:VAL156 4.5 22.3 1.0 N C:GLN474 4.5 19.6 1.0 CB C:ASP473 4.6 20.0 1.0 O C:HOH867 4.6 14.0 1.0 CA C:GLY155 4.7 22.0 1.0 C C:PRO154 4.7 20.1 1.0 CA C:ASP473 4.7 19.9 1.0 CD C:PRO154 4.7 22.0 1.0 O C:HOH912 4.8 16.8 1.0 CG C:ARG158 4.8 18.8 1.0 CB C:ASP482 4.8 21.7 1.0 O C:HOH858 4.8 24.4 1.0 O C:HOH821 4.8 7.7 1.0 C C:GLN474 4.9 21.5 1.0

Potassium binding site 4 out of 4 in the Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of GH31 Family Sulfoquinovosidase Bmsqase in Covalent Complex with Sq-Aziridine (Sqz) within 5.0Å range: probe atom residue distance (Å) B Occ D:K702 b:44.5 occ:1.00 OD1 D:ASP482 2.4 28.5 1.0 O D:ASP473 2.4 34.4 1.0 O D:GLY155 2.6 23.4 1.0 O D:HOH851 3.0 26.6 1.0 CG D:ASP482 3.1 23.3 1.0 OD2 D:ASP482 3.2 22.8 1.0 C D:ASP473 3.6 30.2 1.0 CG D:PRO154 3.7 22.1 1.0 C D:GLY155 3.8 24.5 1.0 CD D:ARG158 4.2 24.6 1.0 CA D:GLN474 4.3 28.5 1.0 N D:GLN474 4.4 31.2 1.0 CB D:PRO154 4.4 22.9 1.0 CB D:ASP482 4.5 22.8 1.0 CA D:VAL156 4.6 24.6 1.0 N D:VAL156 4.6 25.0 1.0 O D:HOH866 4.6 25.1 1.0 CB D:ASP473 4.6 28.6 1.0 N D:GLY155 4.6 22.4 1.0 CA D:ASP473 4.7 28.7 1.0 C D:GLN474 4.7 27.4 1.0 CG D:ARG158 4.7 25.2 1.0 N D:SER475 4.8 25.5 1.0 CA D:GLY155 4.9 24.6 1.0 C D:PRO154 4.9 22.8 1.0 O D:HOH828 4.9 16.2 1.0 CD D:PRO154 5.0 22.0 1.0

Z.Li, I.Pickles, M.Sharma, B.Melling, J.Codee, L.Pallasdies, S.Williams, H.Overkleeft, G.J.Davies. Detection of Sulfoquinovosidase Activity in Cell Lysates Using Activity-Based Probes. Angew.Chem.Int.Ed.Engl. 01358 2024.
ISSN: ESSN 1521-3773
PubMed: 38647177
DOI: 10.1002/ANIE.202401358