Potassium in PDB 7zw7: Crystal Structure of Schistosoma Mansoni HDAC8 in Complex with A Formate Molecule in the Active Site

The structure of Crystal Structure of Schistosoma Mansoni HDAC8 in Complex with A Formate Molecule in the Active Site, PDB code: 7zw7 was solved by F.Saccoccia, M.Giannaccari, G.Ruberti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.89 / 2.85
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.957, 70.957, 180.514, 90, 90, 90
R / Rfree (%)	23.4 / 27.5

The structure of Crystal Structure of Schistosoma Mansoni HDAC8 in Complex with A Formate Molecule in the Active Site also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Potassium atom in the Crystal Structure of Schistosoma Mansoni HDAC8 in Complex with A Formate Molecule in the Active Site (pdb code 7zw7). 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 in Complex with A Formate Molecule in the Active Site, PDB code: 7zw7:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of Schistosoma Mansoni HDAC8 in Complex with A Formate Molecule 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 in Complex with A Formate Molecule in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:K502 b:38.4 occ:1.00 O A:HIS188 2.6 34.8 1.0 O A:ASP186 2.6 35.9 1.0 OD1 A:ASP184 2.6 34.6 1.0 OG A:SER207 2.9 35.7 1.0 O A:ASP184 3.0 35.9 1.0 HB3 A:ASP186 3.0 32.7 1.0 CG A:ASP184 3.3 34.5 1.0 N A:ASP186 3.3 34.8 1.0 C A:ASP186 3.3 35.6 1.0 CA A:ASP186 3.6 34.9 1.0 C A:HIS188 3.6 35.4 1.0 C A:ASP184 3.7 35.4 1.0 O A:VAL208 3.7 36.4 1.0 CB A:ASP186 3.7 34.4 1.0 CB A:HIS209 3.8 36.1 1.0 CB A:ASP184 3.8 34.9 1.0 N A:VAL208 3.9 36.3 1.0 C A:VAL208 3.9 36.8 1.0 C A:LEU185 4.0 34.3 1.0 OD2 A:ASP184 4.0 34.3 1.0 CB A:SER207 4.1 36.0 1.0 HB2 A:ASP186 4.1 32.7 1.0 CA A:HIS209 4.2 36.5 1.0 N A:HIS209 4.3 36.7 1.0 CA A:HIS189 4.3 35.7 1.0 N A:GLY190 4.3 35.2 1.0 N A:LEU185 4.3 33.9 1.0 N A:HIS188 4.4 35.7 1.0 CA A:ASP184 4.4 35.0 1.0 N A:HIS189 4.4 35.7 1.0 ND1 A:HIS209 4.4 36.4 1.0 H A:HIS188 4.5 33.2 1.0 CA A:SER207 4.5 36.3 1.0 N A:LEU187 4.5 34.3 1.0 C A:LEU187 4.5 35.1 1.0 CA A:LEU185 4.5 34.4 1.0 C A:SER207 4.5 37.1 1.0 CG A:HIS209 4.5 36.6 1.0 HA A:ASP186 4.6 32.7 1.0 C A:HIS189 4.6 35.0 1.0 CA A:VAL208 4.6 37.1 1.0 HE2 A:HIS141 4.6 33.2 1.0 CA A:HIS188 4.6 35.8 1.0 O A:LEU185 4.7 34.9 1.0 O A:LEU187 4.7 35.8 1.0 CA A:LEU187 5.0 35.2 1.0 CG A:ASP186 5.0 34.6 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of Schistosoma Mansoni HDAC8 in Complex with A Formate Molecule 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 in Complex with A Formate Molecule in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:K503 b:49.0 occ:1.00 O A:PHE197 2.6 41.0 1.0 OG A:SER243 2.8 43.6 1.0 O A:VAL203 3.0 41.2 1.0 C A:PHE197 3.2 40.0 1.0 CB A:PHE197 3.6 38.5 1.0 O A:SER200 3.6 45.2 1.0 CB A:SER243 3.7 44.2 1.0 N A:TRP198 3.7 39.4 1.0 CA A:TRP198 4.0 40.5 1.0 CA A:PHE197 4.0 39.1 1.0 CG2 A:THR205 4.1 37.1 1.0 OG1 A:THR205 4.1 37.9 1.0 O A:SER243 4.2 41.6 1.0 C A:SER243 4.2 42.5 1.0 C A:VAL203 4.2 41.1 1.0 C A:TRP198 4.2 42.1 1.0 O A:TRP198 4.3 43.0 1.0 O A:GLU194 4.4 38.7 1.0 N A:ALA244 4.5 42.8 1.0 N A:THR205 4.5 38.8 1.0 CB A:ALA244 4.6 41.0 1.0 CA A:SER243 4.6 44.3 1.0 CB A:THR205 4.7 37.1 1.0 CA A:ALA244 4.7 41.3 1.0 C A:SER200 4.7 46.5 1.0 N A:SER200 4.8 46.0 1.0 CA A:VAL204 4.8 39.7 1.0 N A:PHE197 4.9 38.1 1.0 CG A:PHE197 4.9 37.7 1.0 N A:TYR199 5.0 43.8 1.0 O A:GLY240 5.0 44.8 1.0

F.Saccoccia, M.Giannaccari, G.Ruberti. Crystal Structure of Schistosoma Mansoni HDAC8 in Complex with A Formate Molecule in the Active Site To Be Published.