Potassium in PDB 7poz: Crystal Structure of Schistosoma Mansoni HDAC8 with Dmso Bound in the Active Site

The structure of Crystal Structure of Schistosoma Mansoni HDAC8 with Dmso Bound in the Active Site, PDB code: 7poz was solved by F.Saccoccia, G.Ruberti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.73 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.738, 70.738, 179.462, 90, 90, 90
R / Rfree (%)	17 / 21.2

The structure of Crystal Structure of Schistosoma Mansoni HDAC8 with Dmso Bound in the Active Site also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Potassium atom in the Crystal Structure of Schistosoma Mansoni HDAC8 with Dmso Bound in the Active Site (pdb code 7poz). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of Schistosoma Mansoni HDAC8 with Dmso Bound in the Active Site, PDB code: 7poz:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of Schistosoma Mansoni HDAC8 with Dmso Bound in the Active Site


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 Schistosoma Mansoni HDAC8 with Dmso Bound in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:K502 b:20.5 occ:1.00 O A:ASP186 2.6 21.7 1.0 O A:VAL208 2.7 17.6 1.0 OD1 A:ASP184 2.7 16.8 1.0 O A:HIS188 2.8 16.3 1.0 O A:ASP184 2.8 23.6 1.0 OG A:SER207 2.9 16.6 1.0 C A:ASP184 3.4 22.7 1.0 N A:ASP186 3.4 19.8 1.0 CG A:ASP184 3.4 25.0 1.0 C A:ASP186 3.5 20.6 1.0 C A:VAL208 3.7 18.2 1.0 C A:HIS188 3.7 21.2 1.0 CB A:ASP184 3.8 17.6 1.0 CA A:ASP186 3.8 26.6 1.0 CB A:HIS209 3.9 22.2 1.0 C A:LEU185 3.9 17.6 1.0 CB A:ASP186 3.9 19.2 1.0 N A:VAL208 3.9 20.2 1.0 N A:LEU185 4.0 18.3 1.0 CB A:SER207 4.1 19.5 1.0 CA A:ASP184 4.2 17.4 1.0 N A:GLY190 4.3 18.2 1.0 ND1 A:HIS209 4.3 21.6 1.0 CA A:LEU185 4.3 15.7 1.0 CA A:SER207 4.3 16.2 1.0 CA A:HIS189 4.4 16.4 1.0 CA A:HIS209 4.4 18.1 1.0 OD2 A:ASP184 4.4 21.9 1.0 N A:HIS189 4.4 20.8 1.0 N A:HIS209 4.4 20.0 1.0 N A:HIS188 4.5 17.4 1.0 C A:SER207 4.5 21.5 1.0 CA A:VAL208 4.5 18.6 1.0 CG A:HIS209 4.6 19.9 1.0 O A:LEU185 4.6 21.2 1.0 C A:HIS189 4.6 19.1 1.0 O A:HOH722 4.7 22.3 1.0 N A:LEU187 4.7 17.4 1.0 C A:LEU187 4.7 23.3 1.0 CA A:HIS188 4.7 15.6 1.0 CE1 A:HIS141 4.9 24.1 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of Schistosoma Mansoni HDAC8 with Dmso Bound in the Active Site


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 Schistosoma Mansoni HDAC8 with Dmso Bound in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:K503 b:30.7 occ:1.00 O A:VAL203 2.5 24.3 1.0 O A:PHE197 2.6 25.2 1.0 OG A:SER243 2.6 24.1 1.0 O A:HOH694 2.9 23.3 1.0 O A:SER200 2.9 26.3 1.0 CB A:SER243 3.4 27.1 1.0 C A:PHE197 3.5 27.2 1.0 O A:SER243 3.7 21.9 1.0 C A:VAL203 3.7 23.6 1.0 CB A:PHE197 4.0 22.3 1.0 C A:SER243 4.0 22.9 1.0 C A:SER200 4.0 36.9 1.0 N A:TRP198 4.3 22.6 1.0 CA A:PHE197 4.3 27.2 1.0 CA A:SER243 4.3 27.2 1.0 CA A:VAL204 4.4 19.2 1.0 N A:SER200 4.4 26.7 1.0 CA A:TRP198 4.4 23.6 1.0 C A:TRP198 4.4 28.5 1.0 O A:TRP198 4.5 32.3 1.0 N A:VAL204 4.5 21.8 1.0 N A:THR205 4.6 24.2 1.0 N A:ALA244 4.6 21.4 1.0 CA A:SER200 4.7 27.9 1.0 CA A:VAL203 4.8 22.5 1.0 CG2 A:THR205 4.8 22.3 1.0 O A:GLY240 4.8 23.3 1.0 OG1 A:THR205 4.8 19.0 1.0 CB A:SER200 4.8 35.3 1.0 CB A:VAL203 4.9 23.0 1.0 C A:VAL204 5.0 25.3 1.0 N A:VAL203 5.0 27.4 1.0 N A:TYR199 5.0 27.0 1.0

F.Saccoccia, L.Pozzetti, R.Gimmelli, S.Butini, A.Guidi, G.Papoff, M.Giannaccari, S.Brogi, V.Scognamiglio, S.Gemma, G.Ruberti, G.Campiani. Crystal Structures of Schistosoma Mansoni Histone Deacetylase 8 Reveal A Novel Binding Site For Allosteric Inhibitors. J.Biol.Chem. V. 298 02375 2022.
ISSN: ESSN 1083-351X
PubMed: 35970392
DOI: 10.1016/J.JBC.2022.102375