Arsenic in PDB 1y9a: Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate

All present enzymatic activity of Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate:
1.1.1.2;

The structure of Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate, PDB code: 1y9a was solved by L.J.Shimon, M.Peretz, E.Goihberg, Y.Burstein, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	117.04 / 1.81
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	76.891, 234.139, 96.241, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 17.7

The structure of Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Zinc	(Zn)	4 atoms

The binding sites of Arsenic atom in the Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate (pdb code 1y9a). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate, PDB code: 1y9a:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate within 5.0Å range: probe atom residue distance (Å) B Occ A:As1001 b:26.8 occ:1.00 AS A:CAC1001 0.0 26.8 1.0 O1 A:CAC1001 1.7 29.0 1.0 O2 A:CAC1001 1.7 23.6 1.0 C2 A:CAC1001 1.9 23.6 1.0 C1 A:CAC1001 2.0 29.0 1.0 ZN A:ZN1000 3.2 24.0 1.0 OD1 A:ASP150 3.5 26.3 1.0 O A:HOH1034 3.7 23.8 1.0 OD2 A:ASP150 3.7 22.3 1.0 OG A:SER39 3.8 23.0 1.0 CG A:ASP150 4.0 22.9 1.0 NE2 A:HIS59 4.2 22.9 1.0 CB A:SER39 4.5 25.1 1.0 OG1 A:THR154 4.7 19.3 1.0 CE2 A:TRP110 4.7 20.5 1.0 CD2 A:HIS59 4.7 21.8 1.0 CZ2 A:TRP110 4.7 22.1 1.0 CE1 A:HIS59 4.8 24.2 1.0 CD1 A:LEU294 4.8 18.6 1.0 CD2 A:TRP110 4.9 19.7 1.0 CH2 A:TRP110 4.9 22.3 1.0

Arsenic binding site 2 out of 2 in the Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Alcohol Dehydrogenase From Entamoeba Histolotica in Complex with Cacodylate within 5.0Å range: probe atom residue distance (Å) B Occ C:As2001 b:22.9 occ:1.00 AS C:CAC2001 0.0 22.9 1.0 O1 C:CAC2001 1.7 21.4 1.0 O2 C:CAC2001 1.7 22.6 1.0 C2 C:CAC2001 1.9 20.2 1.0 C1 C:CAC2001 2.0 22.1 1.0 ZN C:ZN2000 3.3 19.8 1.0 OD1 C:ASP150 3.6 22.5 1.0 O C:HOH2018 3.7 20.9 1.0 OD2 C:ASP150 3.8 22.0 1.0 OG C:SER39 3.8 20.2 1.0 CG C:ASP150 4.1 21.8 1.0 NE2 C:HIS59 4.1 15.3 1.0 CB C:SER39 4.5 21.1 1.0 CZ2 C:TRP110 4.6 20.8 1.0 CE2 C:TRP110 4.7 18.8 1.0 OG1 C:THR154 4.7 14.7 1.0 CD1 C:LEU294 4.7 18.4 1.0 CH2 C:TRP110 4.7 21.0 1.0 CD2 C:HIS59 4.7 18.4 1.0 CE1 C:HIS59 4.7 20.6 1.0 CD2 C:TRP110 4.9 17.0 1.0 CZ3 C:TRP110 4.9 19.3 1.0

L.J.Shimon, E.Goihberg, M.Peretz, Y.Burstein, F.Frolow. Structure of Alcohol Dehydrogenase From Entamoeba Histolytica. Acta Crystallogr.,Sect.D V. 62 541 2006.
ISSN: ISSN 0907-4449
PubMed: 16627948
DOI: 10.1107/S0907444906009292