Arsenic in PDB 8p5n: Arsenate Reductase (ARSC2) From Deinococcus Indicus, Co-Crystallized with Arsenate

The structure of Arsenate Reductase (ARSC2) From Deinococcus Indicus, Co-Crystallized with Arsenate, PDB code: 8p5n was solved by A.G.Gouveia, P.M.Matias, C.V.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.513, 39.822, 72.194, 90, 97.08, 90
R / Rfree (%)	15.3 / 17.2

The binding sites of Arsenic atom in the Arsenate Reductase (ARSC2) From Deinococcus Indicus, Co-Crystallized with Arsenate (pdb code 8p5n). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Arsenate Reductase (ARSC2) From Deinococcus Indicus, Co-Crystallized with Arsenate, PDB code: 8p5n:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Arsenate Reductase (ARSC2) From Deinococcus Indicus, Co-Crystallized with Arsenate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Arsenate Reductase (ARSC2) From Deinococcus Indicus, Co-Crystallized with Arsenate within 5.0Å range: probe atom residue distance (Å) B Occ A:As201 b:13.7 occ:1.00 AS A:ART201 0.0 13.7 1.0 O3 A:ART201 1.6 20.7 1.0 O2 A:ART201 1.8 11.4 1.0 O1 A:ART201 1.8 11.8 1.0 SG A:CYS15 2.2 13.8 1.0 HB3 A:CYS15 2.8 17.5 1.0 H A:ALA20 3.1 13.3 1.0 HG A:SER22 3.1 12.3 1.0 H A:THR19 3.1 12.0 1.0 CB A:CYS15 3.1 14.6 1.0 H A:ARG21 3.1 11.6 1.0 H A:SER22 3.1 12.0 1.0 H A:ASN18 3.3 13.7 1.0 HE A:ARG21 3.3 14.8 1.0 HB2 A:ARG21 3.4 12.5 1.0 H A:THR16 3.5 16.3 1.0 HH21 A:ARG21 3.5 18.9 1.0 HB2 A:CYS15 3.5 17.5 1.0 H A:GLY17 3.5 18.3 1.0 O A:HOH331 3.6 17.1 1.0 N A:ARG21 3.7 9.6 1.0 HB3 A:ALA20 3.7 14.4 1.0 HA A:ASN18 3.8 12.3 1.0 N A:ALA20 3.8 11.1 1.0 O A:HOH311 3.8 21.4 1.0 N A:ASN18 3.9 11.4 1.0 N A:THR19 3.9 10.0 1.0 OG A:SER22 3.9 10.3 1.0 N A:SER22 4.0 10.0 1.0 OG1 A:THR16 4.0 15.2 1.0 NE A:ARG21 4.1 12.3 1.0 N A:THR16 4.2 13.6 1.0 CA A:ASN18 4.2 10.3 1.0 CB A:ARG21 4.2 10.4 1.0 NH2 A:ARG21 4.3 15.8 1.0 C A:ALA20 4.3 11.4 1.0 N A:GLY17 4.3 15.2 1.0 HB3 A:SER22 4.3 14.2 1.0 HG1 A:THR16 4.4 18.2 1.0 CA A:ALA20 4.4 8.5 1.0 CA A:ARG21 4.4 9.5 1.0 CA A:CYS15 4.4 12.7 1.0 CB A:ALA20 4.5 12.0 1.0 C A:ASN18 4.5 12.4 1.0 CB A:SER22 4.6 11.8 1.0 OG1 A:THR19 4.6 14.6 1.0 CZ A:ARG21 4.6 16.1 1.0 HG23 A:VAL86 4.6 15.7 1.0 HG3 A:ARG21 4.7 14.8 1.0 C A:ARG21 4.7 8.8 1.0 C A:THR19 4.7 9.9 1.0 C A:CYS15 4.7 12.8 1.0 HA A:CYS15 4.8 15.2 1.0 CA A:THR19 4.8 10.5 1.0 C A:GLY17 4.8 11.6 1.0 CG A:ARG21 4.9 12.4 1.0 HH22 A:ARG21 4.9 18.9 1.0 CA A:SER22 4.9 11.1 1.0 HB3 A:ARG21 4.9 12.5 1.0 HB2 A:ALA20 5.0 14.4 1.0

Arsenic binding site 2 out of 2 in the Arsenate Reductase (ARSC2) From Deinococcus Indicus, Co-Crystallized with Arsenate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Arsenate Reductase (ARSC2) From Deinococcus Indicus, Co-Crystallized with Arsenate within 5.0Å range: probe atom residue distance (Å) B Occ B:As201 b:14.1 occ:0.86 AS B:ART201 0.0 14.1 0.9 O3 B:ART201 1.6 20.4 0.9 O2 B:ART201 1.8 11.7 0.9 O1 B:ART201 1.8 12.7 0.9 SG B:CYS15 2.3 17.4 1.0 HB3 B:CYS15 2.9 19.9 1.0 H B:ALA20 3.0 15.4 1.0 H B:THR19 3.1 17.9 1.0 H B:ARG21 3.1 13.2 1.0 HG B:SER22 3.1 15.7 1.0 CB B:CYS15 3.2 16.5 1.0 H B:SER22 3.2 14.6 1.0 H B:ASN18 3.3 17.4 1.0 HE B:ARG21 3.3 18.2 1.0 HB2 B:ARG21 3.4 16.0 1.0 HH21 B:ARG21 3.5 19.4 1.0 H B:THR16 3.5 19.4 1.0 H B:GLY17 3.6 21.4 1.0 HB2 B:CYS15 3.6 19.9 1.0 O B:HOH329 3.6 20.1 1.0 N B:ARG21 3.7 11.0 1.0 HB3 B:ALA20 3.7 18.2 1.0 HA B:ASN18 3.8 18.1 1.0 N B:ALA20 3.8 12.9 1.0 O B:HOH310 3.9 21.4 1.0 N B:THR19 3.9 14.9 1.0 N B:ASN18 3.9 14.5 1.0 OG B:SER22 4.0 13.1 1.0 N B:SER22 4.0 12.2 1.0 OG1 B:THR16 4.0 18.1 1.0 HG1 B:THR16 4.0 21.7 1.0 NE B:ARG21 4.1 15.2 1.0 N B:THR16 4.2 16.1 1.0 NH2 B:ARG21 4.2 16.2 1.0 CA B:ASN18 4.2 15.1 1.0 CB B:ARG21 4.3 13.3 1.0 C B:ALA20 4.3 11.2 1.0 N B:GLY17 4.3 17.8 1.0 CA B:ALA20 4.4 10.5 1.0 HB3 B:SER22 4.4 17.5 1.0 CA B:ARG21 4.4 14.0 1.0 CB B:ALA20 4.5 15.2 1.0 CA B:CYS15 4.5 17.0 1.0 C B:ASN18 4.5 15.3 1.0 CZ B:ARG21 4.6 16.7 1.0 OG1 B:THR19 4.6 17.6 1.0 HG23 B:VAL86 4.6 19.4 1.0 CB B:SER22 4.6 14.6 1.0 C B:THR19 4.7 12.4 1.0 HG3 B:ARG21 4.7 14.1 1.0 C B:ARG21 4.7 13.0 1.0 C B:CYS15 4.8 16.5 1.0 CA B:THR19 4.8 13.0 1.0 HA B:CYS15 4.8 20.4 1.0 C B:GLY17 4.8 16.2 1.0 HH22 B:ARG21 4.9 19.4 1.0 CG B:ARG21 4.9 11.7 1.0 HB2 B:ALA20 4.9 18.2 1.0 HB3 B:ARG21 5.0 16.0 1.0 CA B:SER22 5.0 12.7 1.0

A.G.Gouveia, P.M.Matias, C.V.Romao. Structure of Arsenate Reductase ARSC2 From Deinococcus Indicus Co-Crystallized with Arsenate Front Microbiol 2023.
ISSN: ESSN 1664-302X
DOI: 10.3389/FMICB.2023.1240798