Potassium in PDB 7q1c: Crystal Structure of Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor

The structure of Crystal Structure of Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor, PDB code: 7q1c was solved by E.Ramos-Morales, M.Marek, C.Romier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.11 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.071, 95.353, 96.92, 90, 103.5, 90
R / Rfree (%)	19.6 / 22.4

The structure of Crystal Structure of Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Potassium atom in the Crystal Structure of Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor (pdb code 7q1c). 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 Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor, PDB code: 7q1c:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Crystal Structure of Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor


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 Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:K502 b:28.4 occ:1.00 O A:MET259 2.6 30.4 1.0 OD1 A:ASP235 2.7 31.6 1.0 O A:ASP237 2.7 31.7 1.0 O A:HIS239 2.8 30.0 1.0 O A:ASP235 2.8 27.1 1.0 OG A:SER258 2.9 28.8 1.0 CG A:ASP235 3.3 34.5 1.0 C A:ASP235 3.4 31.8 1.0 C A:ASP237 3.6 32.3 1.0 N A:ASP237 3.7 35.4 1.0 C A:HIS239 3.7 33.4 1.0 C A:MET259 3.7 30.2 1.0 CB A:ASP235 3.7 33.0 1.0 N A:MET259 3.9 29.8 1.0 CB A:SER258 4.0 32.2 1.0 CA A:ASP237 4.0 34.9 1.0 N A:GLY241 4.1 31.5 1.0 CB A:HIS260 4.1 32.5 1.0 OD2 A:ASP235 4.1 36.0 1.0 CB A:ASP237 4.1 33.2 1.0 N A:VAL236 4.1 31.8 1.0 CA A:ASP235 4.2 33.0 1.0 C A:VAL236 4.2 35.6 1.0 N A:HIS239 4.3 35.6 1.0 CA A:SER258 4.3 32.3 1.0 CA A:VAL236 4.3 35.1 1.0 CA A:HIS240 4.4 33.4 1.0 ND1 A:HIS260 4.4 31.7 1.0 N A:HIS240 4.5 32.9 1.0 C A:SER258 4.5 32.9 1.0 CA A:MET259 4.5 30.2 1.0 C A:HIS240 4.6 33.9 1.0 CA A:HIS260 4.6 31.0 1.0 CA A:HIS239 4.6 35.2 1.0 N A:HIS260 4.7 32.2 1.0 CE1 A:HIS197 4.7 37.8 1.0 OD1 A:ASP237 4.7 34.0 1.0 CG A:HIS260 4.7 31.5 1.0 N A:ALA238 4.8 31.2 1.0 C A:ALA238 4.8 34.2 1.0 CA A:GLY241 4.9 33.8 1.0 ND1 A:HIS197 4.9 37.6 1.0 CG A:ASP237 5.0 37.6 1.0

Potassium binding site 2 out of 4 in the Crystal Structure of Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor


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 Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:K503 b:38.0 occ:1.00 O A:VAL254 2.5 40.4 1.0 O A:PHE248 2.6 39.0 1.0 O A:HOH646 2.7 38.2 1.0 O A:ASP251 2.8 44.5 1.0 O A:HOH661 2.8 40.3 1.0 O A:PHE284 2.9 38.6 1.0 C A:PHE248 3.6 40.1 1.0 C A:PHE284 3.7 41.7 1.0 C A:VAL254 3.7 39.0 1.0 CB A:PHE284 3.8 42.2 1.0 CB A:PHE248 3.8 38.3 1.0 C A:ASP251 3.9 45.4 1.0 OG1 A:THR285 4.0 40.4 1.0 CA A:PHE248 4.4 39.8 1.0 CA A:LEU255 4.4 35.7 1.0 CA A:PHE284 4.4 43.6 1.0 N A:ASP251 4.4 46.9 1.0 N A:LEU255 4.5 37.6 1.0 N A:THR256 4.5 34.7 1.0 N A:THR285 4.6 41.0 1.0 CA A:ASP251 4.6 46.4 1.0 N A:LEU249 4.6 40.1 1.0 O A:LEU249 4.6 45.5 1.0 CB A:ASP251 4.6 46.0 1.0 C A:LEU249 4.7 44.1 1.0 CA A:LEU249 4.7 40.9 1.0 O A:GLY281 4.7 47.0 1.0 CA A:VAL254 4.8 39.6 1.0 OG1 A:THR256 4.8 37.3 1.0 CB A:VAL254 4.9 42.3 1.0 C A:LEU255 4.9 37.2 1.0 CA A:THR285 5.0 39.0 1.0 N A:VAL254 5.0 44.1 1.0 N A:ASN252 5.0 44.7 1.0 CG2 A:THR256 5.0 35.1 1.0

Potassium binding site 3 out of 4 in the Crystal Structure of Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor


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 Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:K502 b:32.7 occ:1.00 O B:MET259 2.6 29.7 1.0 O B:HIS239 2.7 27.9 1.0 OD1 B:ASP235 2.7 35.4 1.0 O B:ASP237 2.7 33.8 1.0 O B:ASP235 2.8 31.8 1.0 OG B:SER258 2.9 31.2 1.0 CG B:ASP235 3.2 33.9 1.0 C B:ASP235 3.5 35.3 1.0 N B:ASP237 3.5 35.5 1.0 C B:ASP237 3.6 34.1 1.0 C B:HIS239 3.7 33.1 1.0 C B:MET259 3.7 32.7 1.0 CB B:ASP235 3.8 33.4 1.0 CA B:ASP237 3.9 37.0 1.0 OD2 B:ASP235 3.9 34.3 1.0 CB B:ASP237 4.0 35.0 1.0 N B:MET259 4.0 32.7 1.0 CB B:HIS260 4.1 33.0 1.0 CB B:SER258 4.1 33.8 1.0 N B:GLY241 4.1 27.9 1.0 N B:VAL236 4.2 34.5 1.0 C B:VAL236 4.2 35.0 1.0 CA B:ASP235 4.3 33.5 1.0 N B:HIS239 4.3 32.2 1.0 CA B:VAL236 4.3 34.4 1.0 CA B:SER258 4.4 33.1 1.0 CA B:HIS240 4.4 32.5 1.0 N B:HIS240 4.4 32.3 1.0 ND1 B:HIS260 4.5 30.0 1.0 C B:SER258 4.5 35.2 1.0 CA B:MET259 4.5 31.5 1.0 C B:HIS240 4.5 32.2 1.0 CE1 B:HIS197 4.5 38.1 1.0 CA B:HIS260 4.6 34.1 1.0 CA B:HIS239 4.6 35.5 1.0 N B:HIS260 4.7 31.4 1.0 N B:ALA238 4.7 32.9 1.0 CG B:HIS260 4.7 31.6 1.0 OD1 B:ASP237 4.7 35.1 1.0 C B:ALA238 4.8 35.2 1.0 ND1 B:HIS197 4.9 37.4 1.0 CA B:GLY241 4.9 34.8 1.0 CG B:ASP237 4.9 36.6 1.0

Potassium binding site 4 out of 4 in the Crystal Structure of Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor


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 Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:K503 b:37.5 occ:1.00 O B:VAL254 2.5 39.7 1.0 O B:PHE248 2.6 40.5 1.0 O B:HOH669 2.7 39.5 1.0 O B:HOH661 2.8 36.4 1.0 O B:ASP251 2.9 44.3 1.0 O B:PHE284 3.1 42.1 1.0 C B:PHE248 3.6 37.4 1.0 CB B:PHE248 3.7 36.5 1.0 C B:VAL254 3.7 39.6 1.0 C B:PHE284 3.8 42.7 1.0 CB B:PHE284 3.8 42.7 1.0 OG1 B:THR285 3.9 43.3 1.0 C B:ASP251 3.9 46.8 1.0 CA B:PHE248 4.3 39.5 1.0 N B:ASP251 4.3 42.8 1.0 CA B:LEU255 4.4 37.7 1.0 CA B:PHE284 4.4 43.8 1.0 N B:THR256 4.5 35.2 1.0 CA B:ASP251 4.5 43.9 1.0 N B:THR285 4.5 39.3 1.0 N B:LEU255 4.5 39.2 1.0 CB B:ASP251 4.5 43.6 1.0 N B:LEU249 4.6 38.6 1.0 CA B:LEU249 4.7 41.5 1.0 C B:LEU249 4.7 46.7 1.0 CG2 B:THR256 4.7 36.3 1.0 O B:LEU249 4.8 44.8 1.0 CA B:VAL254 4.8 41.0 1.0 CA B:THR285 4.9 40.5 1.0 OG1 B:THR256 4.9 38.5 1.0 C B:LEU255 4.9 36.8 1.0 N B:ASN252 4.9 47.1 1.0 CB B:VAL254 4.9 41.9 1.0 O B:GLY281 4.9 46.5 1.0 CB B:THR285 5.0 39.8 1.0

M.Marek, E.Ramos-Morales, C.Romier. Species-Selective Targeting of Pathogens Revealed By the Atypical Structure and Active Site of Trypanosoma Cruzi Histone Deacetylase DAC2 To Be Published.