Arsenic in PDB 8e5r: Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Cidd-0150610 Complex

The structure of Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Cidd-0150610 Complex, PDB code: 8e5r was solved by A.B.Taylor, S.N.Alwan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.84 / 1.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	140.889, 39.668, 53.839, 90, 90, 90
R / Rfree (%)	16.9 / 19.9

The structure of Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Cidd-0150610 Complex also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Arsenic atom in the Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Cidd-0150610 Complex (pdb code 8e5r). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Cidd-0150610 Complex, PDB code: 8e5r:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Cidd-0150610 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/Cidd-0150610 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:As226 b:40.1 occ:0.61 AS A:CAS226 0.0 40.1 0.6 CE1 A:CAS226 2.0 46.6 0.6 CE2 A:CAS226 2.0 46.2 0.6 SG A:CAS226 2.3 35.8 0.6 SG A:CAS226 2.6 42.6 0.4 O A:CAS226 3.2 31.5 0.4 CB A:CAS226 3.3 29.9 0.6 CB A:CAS226 3.3 35.2 0.4 O A:CAS226 3.4 30.5 0.6 CE2 A:CAS226 3.5 55.1 0.4 C A:CAS226 3.7 28.2 0.4 AS A:CAS226 3.7 53.1 0.4 C A:CAS226 3.7 26.7 0.6 CA A:CAS226 4.1 30.7 0.4 CA A:CAS226 4.1 28.6 0.6 N A:VAL227 4.4 25.7 1.0 CE1 A:CAS226 4.9 53.9 0.4 CA A:VAL227 5.0 25.9 1.0

Arsenic binding site 2 out of 2 in the Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Cidd-0150610 Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Schistosoma Mansoni (Blood Fluke) Sulfotransferase/Cidd-0150610 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:As226 b:53.1 occ:0.39 AS A:CAS226 0.0 53.1 0.4 CE1 A:CAS226 2.0 53.9 0.4 CE2 A:CAS226 2.0 55.1 0.4 SG A:CAS226 2.3 42.6 0.4 SG A:CAS226 2.6 35.8 0.6 CB A:CAS226 3.4 35.2 0.4 CB A:CAS226 3.4 29.9 0.6 O A:HOH602 3.5 41.4 1.0 AS A:CAS226 3.7 40.1 0.6 CE2 A:CAS226 3.8 46.2 0.6 N1 A:A3P402 4.0 29.1 1.0 C6 A:A3P402 4.3 28.9 1.0 N6 A:A3P402 4.5 30.8 1.0 C2 A:A3P402 4.5 28.4 1.0 CA A:CAS226 4.7 30.7 0.4 CA A:CAS226 4.8 28.6 0.6

S.N.Alwan, A.B.Taylor, J.Rhodes, M.Tidwell, S.F.Mchardy, P.T.Loverde. Oxamniquine Derivatives Overcome Praziquantel Treatment Limitations For Schistosomiasis. Plos Pathog. V. 19 11018 2023.
ISSN: ESSN 1553-7374
PubMed: 37428793
DOI: 10.1371/JOURNAL.PPAT.1011018