Zinc 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:

Potassium

(K)

4 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Trypanosoma Cruzi Histone Deacetylase DAC2 Complexed with A Hydroxamate Inhibitor, PDB code: 7q1c:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn501 b:50.3 occ:1.00 O19 A:T56504 2.1 46.0 1.0 OD2 A:ASP328 2.2 37.1 1.0 OD1 A:ASP237 2.3 34.0 1.0 ND1 A:HIS239 2.3 37.9 1.0 OD2 A:ASP237 2.6 35.0 1.0 N18 A:T56504 2.7 51.9 1.0 CG A:ASP237 2.7 37.6 1.0 O01 A:T56504 2.8 47.9 1.0 C02 A:T56504 3.0 48.8 1.0 CE1 A:HIS239 3.2 43.7 1.0 CG A:ASP328 3.2 34.5 1.0 CG A:HIS239 3.3 37.9 1.0 OD1 A:ASP328 3.5 35.4 1.0 CB A:HIS239 3.6 34.3 1.0 N A:HIS239 4.0 35.6 1.0 CA A:GLY369 4.0 39.4 1.0 CB A:ASP237 4.2 33.2 1.0 N A:ALA238 4.3 31.2 1.0 NE2 A:HIS239 4.3 45.7 1.0 N A:GLY369 4.3 39.1 1.0 NE2 A:HIS197 4.4 37.9 1.0 C03 A:T56504 4.4 56.0 1.0 CA A:HIS239 4.4 35.2 1.0 CD2 A:HIS239 4.4 40.4 1.0 CB A:ASP328 4.6 36.4 1.0 NE2 A:HIS198 4.6 38.6 1.0 C A:ALA238 4.7 34.2 1.0 CE1 A:HIS197 4.7 37.8 1.0 C04 A:T56504 4.9 69.5 1.0 CA A:ALA238 4.9 32.9 1.0 C A:ASP237 4.9 32.3 1.0 C A:GLY369 4.9 37.4 1.0 CE2 A:TYR371 4.9 40.1 1.0 CB A:ALA238 4.9 30.3 1.0 CA A:ASP237 5.0 34.9 1.0

Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn 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 B:Zn501 b:54.4 occ:1.00 O19 B:T56504 2.1 47.1 1.0 OD1 B:ASP237 2.2 35.1 1.0 OD2 B:ASP328 2.2 40.5 1.0 ND1 B:HIS239 2.3 38.8 1.0 O01 B:T56504 2.6 49.3 1.0 OD2 B:ASP237 2.6 37.7 1.0 N18 B:T56504 2.6 51.2 1.0 CG B:ASP237 2.7 36.6 1.0 C02 B:T56504 2.9 47.8 1.0 CE1 B:HIS239 3.1 40.1 1.0 CG B:ASP328 3.2 36.6 1.0 CG B:HIS239 3.4 36.3 1.0 OD1 B:ASP328 3.5 37.2 1.0 CB B:HIS239 3.8 37.9 1.0 N B:HIS239 4.0 32.2 1.0 CA B:GLY369 4.0 40.3 1.0 CB B:ASP237 4.2 35.0 1.0 C03 B:T56504 4.3 44.8 1.0 N B:GLY369 4.3 39.4 1.0 N B:ALA238 4.3 32.9 1.0 NE2 B:HIS239 4.3 42.3 1.0 NE2 B:HIS197 4.3 39.3 1.0 CD2 B:HIS239 4.4 36.2 1.0 CA B:HIS239 4.5 35.5 1.0 CB B:ASP328 4.5 36.1 1.0 NE2 B:HIS198 4.6 37.8 1.0 C04 B:T56504 4.6 47.2 1.0 C B:ALA238 4.8 35.2 1.0 CE1 B:HIS197 4.8 38.1 1.0 OH B:TYR371 4.8 47.8 1.0 CA B:ALA238 4.9 33.1 1.0 C B:GLY369 4.9 37.6 1.0 CB B:ALA238 4.9 31.8 1.0 C B:ASP237 4.9 34.1 1.0 CE2 B:TYR371 5.0 41.0 1.0 CA B:ASP237 5.0 37.0 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.