Zinc 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:

Potassium	(K)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Schistosoma Mansoni HDAC8 in Complex with A Formate Molecule in the Active Site, PDB code: 7zw7:

Zinc binding site 1 out of 1 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 Zinc with other atoms in the Zn 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:Zn501 b:36.6 occ:1.00 O1 A:FMT505 1.8 37.0 1.0 OD1 A:ASP186 1.9 35.1 1.0 OD2 A:ASP285 1.9 35.0 1.0 ND1 A:HIS188 2.3 36.2 1.0 C A:FMT505 2.5 36.4 1.0 CG A:ASP186 2.8 34.6 1.0 H A:HIS188 3.0 33.2 1.0 O2 A:FMT505 3.0 36.1 1.0 CG A:ASP285 3.0 35.1 1.0 OD2 A:ASP186 3.0 34.3 1.0 H A:FMT505 3.1 34.5 1.0 CE1 A:HIS188 3.1 37.1 1.0 HB2 A:HIS188 3.2 33.2 1.0 HE1 A:HIS188 3.2 33.2 1.0 HA3 A:GLY339 3.3 33.2 1.0 CG A:HIS188 3.3 36.3 1.0 OD1 A:ASP285 3.4 34.7 1.0 HB3 A:LEU187 3.5 33.3 1.0 HH A:TYR341 3.6 36.2 1.0 H A:LEU187 3.7 33.3 1.0 CB A:HIS188 3.7 35.6 1.0 N A:HIS188 3.7 35.7 1.0 HE1 A:HIS141 4.0 33.2 1.0 HE1 A:TYR341 4.1 36.2 1.0 N A:LEU187 4.1 34.3 1.0 CB A:ASP186 4.1 34.4 1.0 HE2 A:HIS142 4.2 34.0 1.0 CA A:GLY339 4.3 34.9 1.0 HB3 A:ASP186 4.3 32.7 1.0 NE2 A:HIS188 4.3 37.8 1.0 CB A:ASP285 4.3 36.1 1.0 OH A:TYR341 4.3 36.4 1.0 CA A:HIS188 4.3 35.8 1.0 CB A:LEU187 4.4 35.8 1.0 CD2 A:HIS188 4.4 37.3 1.0 HE2 A:HIS141 4.5 33.2 1.0 HB2 A:ASP285 4.5 33.8 1.0 HB3 A:ASP285 4.5 33.8 1.0 HB3 A:HIS188 4.5 33.2 1.0 CA A:LEU187 4.6 35.2 1.0 C A:LEU187 4.6 35.1 1.0 HA2 A:GLY339 4.7 33.2 1.0 HB2 A:LEU187 4.7 33.3 1.0 N A:GLY339 4.8 34.2 1.0 HB2 A:ASP186 4.8 32.7 1.0 CE1 A:HIS141 4.8 35.2 1.0 HD23 A:LEU187 4.8 33.3 1.0 HA A:ASP186 4.9 32.7 1.0 CE1 A:TYR341 4.9 37.5 1.0 C A:ASP186 4.9 35.6 1.0 CA A:ASP186 4.9 34.9 1.0 NE2 A:HIS141 4.9 35.4 1.0 NE2 A:HIS142 5.0 36.6 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.