Arsenic in PDB 6uux: Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Hycanthone Complex

The structure of Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Hycanthone Complex, PDB code: 6uux was solved by A.B.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.29 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	139.620, 39.300, 54.120, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.9

The binding sites of Arsenic atom in the Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Hycanthone Complex (pdb code 6uux). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Hycanthone Complex, PDB code: 6uux:

Arsenic binding site 1 out of 1 in the Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Hycanthone Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Hycanthone Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:As226 b:55.5 occ:0.51 AS A:CAS226 0.0 55.5 0.5 CE1 A:CAS226 2.0 61.2 0.7 CE2 A:CAS226 2.0 62.9 0.6 SG A:CAS226 2.2 39.1 1.0 O A:CAS226 3.0 24.0 1.0 CB A:CAS226 3.1 31.6 1.0 C A:CAS226 3.5 22.5 1.0 CA A:CAS226 3.9 26.3 1.0 O A:HOH511 4.2 45.7 1.0 N A:VAL227 4.4 19.5 1.0 CA A:VAL227 4.9 17.6 1.0 O A:HOH442 5.0 17.5 1.0

M.Guzman, A.Rugel, R.S.Tarpley, X.Cao, S.F.Mchardy, P.T.Loverde, A.B.Taylor. Molecular Basis For Hycanthone Drug Action in Schistosome Parasites. Mol.Biochem.Parasitol. 11257 2020.
ISSN: ISSN 0166-6851
PubMed: 32027942
DOI: 10.1016/J.MOLBIOPARA.2020.111257