Calcium in PDB 6uuy: Schistosoma Haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex

The structure of Schistosoma Haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex, PDB code: 6uuy 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)	69.39 / 1.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.690, 73.210, 138.790, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.6

The binding sites of Calcium atom in the Schistosoma Haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex (pdb code 6uuy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Schistosoma Haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex, PDB code: 6uuy:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Schistosoma Haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Schistosoma Haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:52.8 occ:0.64 O B:HOH472 2.0 42.4 0.4 O B:HOH601 2.1 35.7 0.7 O22 B:BCN305 2.1 47.6 0.8 OE2 B:GLU185 2.2 23.3 1.0 OE2 B:GLU189 2.4 33.0 1.0 C2 B:BCN305 3.0 50.5 0.8 O21 B:BCN305 3.3 51.8 0.8 CD B:GLU185 3.3 20.8 1.0 CD B:GLU189 3.4 30.8 1.0 OE1 B:GLU189 3.5 32.8 1.0 CG B:GLU185 3.9 22.1 1.0 O B:HOH411 4.0 36.2 1.0 OE1 B:GLU185 4.3 22.1 1.0 C1 B:BCN305 4.4 48.3 0.8 CG B:GLU189 4.8 30.1 1.0 CB B:GLU185 5.0 20.4 1.0

Calcium binding site 2 out of 2 in the Schistosoma Haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Schistosoma Haematobium (Blood Fluke) Sulfotransferase/Hycanthone Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca306 b:52.6 occ:0.63 O21 B:BCN305 2.1 51.8 0.8 O4 B:BCN305 2.5 39.6 0.8 O6 B:BCN305 2.6 52.7 0.8 N1 B:BCN305 2.8 47.5 0.8 C2 B:BCN305 3.0 50.5 0.8 C1 B:BCN305 3.2 48.3 0.8 C4 B:BCN305 3.5 42.5 0.8 C3 B:BCN305 3.6 44.5 0.8 C5 B:BCN305 3.7 49.2 0.8 C6 B:BCN305 3.7 48.7 0.8 O22 B:BCN305 4.1 47.6 0.8 O B:HOH601 4.8 35.7 0.7

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