Chlorine in PDB 7r0s: Structure of A Cytosolic Sulfotransferase of Anopheles Gambiae (AGAP001425) in Complex with Vanillin

The structure of Structure of A Cytosolic Sulfotransferase of Anopheles Gambiae (AGAP001425) in Complex with Vanillin, PDB code: 7r0s was solved by A.Esposito Verza, R.Miggiano, R.Rizzi, F.Rossi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.94 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.933, 92.135, 102.462, 90, 90, 90
R / Rfree (%)	18.5 / 21.8

The binding sites of Chlorine atom in the Structure of A Cytosolic Sulfotransferase of Anopheles Gambiae (AGAP001425) in Complex with Vanillin (pdb code 7r0s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Cytosolic Sulfotransferase of Anopheles Gambiae (AGAP001425) in Complex with Vanillin, PDB code: 7r0s:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Cytosolic Sulfotransferase of Anopheles Gambiae (AGAP001425) in Complex with Vanillin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Cytosolic Sulfotransferase of Anopheles Gambiae (AGAP001425) in Complex with Vanillin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:26.6 occ:1.00 N A:ASN175 3.4 17.7 1.0 N A:GLU238 3.5 19.8 1.0 CG A:GLU238 3.5 34.6 1.0 CB A:GLU238 3.5 28.9 1.0 ND2 A:ASN175 3.7 23.3 1.0 CA A:ARG174 3.8 15.2 1.0 CB A:ASN175 4.0 21.9 1.0 CD1 A:PHE336 4.0 22.1 1.0 CA A:GLU238 4.1 24.3 1.0 C A:ARG174 4.1 15.7 1.0 N A:TYR237 4.1 19.8 1.0 O A:ALA173 4.1 15.1 1.0 CB A:TYR237 4.2 23.7 1.0 CG A:ARG174 4.3 16.7 1.0 CA A:ASN175 4.3 18.8 1.0 CD A:PRO337 4.3 35.5 1.0 CG A:ASN175 4.4 21.9 1.0 C A:TYR237 4.4 19.6 1.0 CA A:TYR237 4.5 20.6 1.0 CB A:TYR236 4.5 18.5 1.0 CB A:ARG174 4.6 14.7 1.0 CE1 A:PHE336 4.7 20.9 1.0 CG A:PRO337 4.7 37.7 1.0 C A:TYR236 4.7 19.9 1.0 CB A:PHE336 4.8 25.2 1.0 CG A:PHE336 4.8 25.3 1.0 N A:ARG174 4.8 14.9 1.0 CD2 A:TYR237 4.9 31.1 1.0 O A:HOH504 4.9 23.4 1.0 C A:ALA173 4.9 15.0 1.0 CA A:TYR236 5.0 18.3 1.0 CD A:GLU238 5.0 36.4 1.0

Chlorine binding site 2 out of 2 in the Structure of A Cytosolic Sulfotransferase of Anopheles Gambiae (AGAP001425) in Complex with Vanillin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Cytosolic Sulfotransferase of Anopheles Gambiae (AGAP001425) in Complex with Vanillin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:26.2 occ:1.00 N B:ASN175 3.4 18.1 1.0 N B:GLU238 3.4 19.8 1.0 CG B:GLU238 3.5 39.5 1.0 CB B:GLU238 3.5 31.4 1.0 ND2 B:ASN175 3.6 22.6 1.0 CA B:ARG174 3.8 15.8 1.0 CD1 B:PHE336 4.0 21.4 1.0 CB B:ASN175 4.0 22.4 1.0 CA B:GLU238 4.1 25.9 1.0 C B:ARG174 4.1 15.9 1.0 N B:TYR237 4.2 19.6 1.0 O B:ALA173 4.2 17.0 1.0 CB B:TYR237 4.2 24.3 1.0 CG B:ARG174 4.3 17.2 1.0 CA B:ASN175 4.3 19.6 1.0 CD B:PRO337 4.3 33.2 1.0 CG B:ASN175 4.3 21.8 1.0 C B:TYR237 4.4 20.2 1.0 CA B:TYR237 4.5 21.7 1.0 CB B:TYR236 4.5 19.3 1.0 CB B:ARG174 4.6 15.2 1.0 CE1 B:PHE336 4.7 20.8 1.0 CG B:PRO337 4.7 38.1 1.0 C B:TYR236 4.7 19.3 1.0 CB B:PHE336 4.8 22.9 1.0 CG B:PHE336 4.8 23.4 1.0 N B:ARG174 4.8 14.7 1.0 O B:HOH503 4.8 23.9 1.0 CD2 B:TYR237 4.9 29.4 1.0 C B:ALA173 4.9 14.9 1.0 CD B:GLU238 4.9 44.4 1.0 CA B:TYR236 5.0 18.4 1.0

A.Esposito Verza, R.Miggiano, F.Lombardo, C.Fiorillo, B.Arca, B.Purghe, E.Del Grosso, U.Galli, M.Rizzi, F.Rossi. Biochemical and Structural Analysis of A Cytosolic Sulfotransferase of the Malaria Vector Anopheles Gambiae Overexpressed in the Reproductive Tissues. Curr Res Struct Biol V. 4 246 2022.
ISSN: ESSN 2665-928X
PubMed: 35941867
DOI: 10.1016/J.CRSTBI.2022.07.001