Arsenic in PDB 5wph: Crystal Structure of Arsn, N-Acetyltransferase with Substrate Ast From Pseudomonas Putida KT2440

The structure of Crystal Structure of Arsn, N-Acetyltransferase with Substrate Ast From Pseudomonas Putida KT2440, PDB code: 5wph was solved by S.Venkadesh, D.S.Dheeman, M.Yoshinaga, P.Kandavelu, B.P.Rosen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.02 / 2.19
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.273, 141.735, 54.551, 90.00, 90.59, 90.00
R / Rfree (%)	18 / 23.2

The structure of Crystal Structure of Arsn, N-Acetyltransferase with Substrate Ast From Pseudomonas Putida KT2440 also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Arsenic atom in the Crystal Structure of Arsn, N-Acetyltransferase with Substrate Ast From Pseudomonas Putida KT2440 (pdb code 5wph). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Arsn, N-Acetyltransferase with Substrate Ast From Pseudomonas Putida KT2440, PDB code: 5wph:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Arsn, N-Acetyltransferase with Substrate Ast From Pseudomonas Putida KT2440


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Arsn, N-Acetyltransferase with Substrate Ast From Pseudomonas Putida KT2440 within 5.0Å range: probe atom residue distance (Å) B Occ A:As301 b:78.2 occ:1.00 AS A:BLJ301 0.0 78.2 1.0 OEA A:BLJ301 1.9 54.9 1.0 CE A:BLJ301 2.0 49.5 1.0 CG A:BLJ301 2.0 52.9 1.0 OEB A:BLJ301 2.0 56.2 1.0 CB A:BLJ301 3.1 47.5 1.0 O B:HOH447 3.6 35.1 1.0 OH A:TYR80 3.6 25.5 1.0 O B:HOH469 3.8 35.7 1.0 CA A:BLJ301 3.9 40.0 1.0 O B:ILE31 4.2 34.0 1.0 N B:PHE33 4.3 28.8 1.0 CG B:PHE33 4.4 24.6 1.0 CB B:PHE33 4.5 25.1 1.0 O A:HOH510 4.5 43.1 1.0 N1 A:BLJ301 4.5 52.0 1.0 CZ A:TYR80 4.5 25.4 1.0 CD1 B:PHE33 4.6 22.6 1.0 CE2 A:TYR80 4.6 24.6 1.0 CA B:SER32 4.7 25.4 1.0 CD2 B:PHE33 4.8 22.2 1.0 C B:SER32 4.9 26.7 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Arsn, N-Acetyltransferase with Substrate Ast From Pseudomonas Putida KT2440


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Arsn, N-Acetyltransferase with Substrate Ast From Pseudomonas Putida KT2440 within 5.0Å range: probe atom residue distance (Å) B Occ B:As301 b:53.1 occ:1.00 AS B:BLJ301 0.0 53.1 1.0 OEB B:BLJ301 1.9 42.3 1.0 OEA B:BLJ301 1.9 53.2 1.0 CE B:BLJ301 2.0 44.2 1.0 CG B:BLJ301 2.0 43.5 1.0 CB B:BLJ301 3.0 43.3 1.0 O A:HOH504 3.6 35.8 1.0 OH B:TYR80 3.7 28.1 1.0 NH1 B:ARG77 3.9 33.2 1.0 O B:HOH417 4.1 46.0 1.0 N A:PHE33 4.1 27.6 1.0 CA B:BLJ301 4.2 50.5 1.0 CB A:PHE33 4.3 25.0 1.0 CG A:PHE33 4.4 29.9 1.0 O A:ILE31 4.4 28.7 1.0 CE2 B:TYR80 4.6 22.9 1.0 CZ B:TYR80 4.6 25.0 1.0 CD1 A:PHE33 4.6 28.2 1.0 CA A:SER32 4.7 27.9 1.0 CD B:ARG77 4.8 34.8 1.0 CD2 A:PHE33 4.8 26.0 1.0 CA A:PHE33 4.8 25.0 1.0 C A:SER32 4.9 29.2 1.0 CZ B:ARG77 4.9 30.6 1.0 N1 B:BLJ301 5.0 49.1 1.0

V.S.Nadar, J.Chen, D.S.Dheeman, A.E.Galvan, K.Yoshinaga-Sakurai, P.Kandavelu, B.Sankaran, M.Kuramata, S.Ishikawa, B.P.Rosen, M.Yoshinaga. Arsinothricin, An Arsenic-Containing Non-Proteinogenic Amino Acid Analog of Glutamate, Is A Broad-Spectrum Antibiotic. Commun Biol V. 2 131 2019.
ISSN: ESSN 2399-3642
PubMed: 30993215
DOI: 10.1038/S42003-019-0365-Y