Arsenic in PDB 8ack: Structure of Pseudomonas Aeruginosa Aminopeptidase, Paap

The structure of Structure of Pseudomonas Aeruginosa Aminopeptidase, Paap, PDB code: 8ack was solved by C.J.Harding, C.M.Czekster, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.83 / 1.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.292, 85.661, 98.097, 90, 93.85, 90
R / Rfree (%)	17.1 / 21

The structure of Structure of Pseudomonas Aeruginosa Aminopeptidase, Paap also contains other interesting chemical elements:

Sodium	(Na)	9 atoms
Zinc	(Zn)	10 atoms

The binding sites of Arsenic atom in the Structure of Pseudomonas Aeruginosa Aminopeptidase, Paap (pdb code 8ack). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Structure of Pseudomonas Aeruginosa Aminopeptidase, Paap, PDB code: 8ack:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Structure of Pseudomonas Aeruginosa Aminopeptidase, Paap


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of Pseudomonas Aeruginosa Aminopeptidase, Paap within 5.0Å range: probe atom residue distance (Å) B Occ B:As601 b:55.8 occ:1.00 AS B:CAC601 0.0 55.8 1.0 O1 B:CAC601 1.6 35.2 1.0 O2 B:CAC601 1.8 39.1 1.0 C2 B:CAC601 2.0 67.5 1.0 C1 B:CAC601 2.0 71.4 1.0 H21 B:CAC601 2.5 81.0 1.0 H23 B:CAC601 2.5 81.0 1.0 H22 B:CAC601 2.5 81.0 1.0 H12 B:CAC601 2.5 85.7 1.0 H13 B:CAC601 2.5 85.7 1.0 H11 B:CAC601 2.5 85.7 1.0 ZN B:ZN602 3.0 31.9 1.0 ZN B:ZN603 3.3 29.7 1.0 OE2 B:GLU340 3.5 40.9 1.0 OH B:TYR466 3.8 35.2 1.0 OD2 B:ASP369 3.8 25.8 1.0 OD2 B:ASP308 4.2 34.0 1.0 OE1 B:GLU340 4.3 30.9 1.0 OE1 B:GLU341 4.3 31.5 1.0 CD B:GLU340 4.3 37.8 1.0 OD1 B:ASP308 4.4 23.8 1.0 O B:ARG422 4.4 35.8 1.0 NE2 B:HIS467 4.5 30.3 1.0 CG B:ASP369 4.6 22.1 1.0 OE2 B:GLU341 4.6 32.3 1.0 OD1 B:ASP369 4.6 29.1 1.0 CG B:ASP308 4.7 28.8 1.0 CE1 B:TYR466 4.7 37.1 1.0 CZ B:TYR466 4.7 42.7 1.0 CD B:GLU341 4.8 36.7 1.0 NE2 B:HIS296 4.9 26.6 1.0

Arsenic binding site 2 out of 2 in the Structure of Pseudomonas Aeruginosa Aminopeptidase, Paap


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of Pseudomonas Aeruginosa Aminopeptidase, Paap within 5.0Å range: probe atom residue distance (Å) B Occ A:As601 b:52.8 occ:1.00 AS A:CAC601 0.0 52.8 1.0 O1 A:CAC601 1.6 38.2 1.0 O2 A:CAC601 1.8 32.4 1.0 C1 A:CAC601 2.0 66.4 1.0 C2 A:CAC601 2.0 64.3 1.0 H12 A:CAC601 2.5 79.7 1.0 H11 A:CAC601 2.5 79.7 1.0 H13 A:CAC601 2.5 79.7 1.0 H23 A:CAC601 2.5 77.1 1.0 H21 A:CAC601 2.5 77.1 1.0 H22 A:CAC601 2.5 77.1 1.0 ZN A:ZN602 3.0 33.2 1.0 ZN A:ZN603 3.3 30.3 1.0 OE2 A:GLU340 3.6 53.4 1.0 OD2 A:ASP369 3.7 30.2 1.0 OH A:TYR466 3.8 36.8 1.0 OE1 A:GLU340 4.0 35.2 1.0 OD2 A:ASP308 4.1 34.3 1.0 OE1 A:GLU341 4.1 34.4 1.0 CD A:GLU340 4.2 40.2 1.0 OD1 A:ASP308 4.4 26.3 1.0 NE2 A:HIS467 4.4 32.4 1.0 O A:ARG422 4.5 39.3 1.0 CG A:ASP369 4.5 23.5 1.0 CE1 A:TYR466 4.6 31.6 1.0 OE2 A:GLU341 4.6 38.8 1.0 CG A:ASP308 4.6 33.7 1.0 OD1 A:ASP369 4.6 27.4 1.0 CZ A:TYR466 4.7 36.1 1.0 CD A:GLU341 4.7 40.2 1.0 NE2 A:HIS296 4.8 26.7 1.0 CE1 A:HIS467 4.9 29.8 1.0

C.J.Harding, M.Bischoff, M.Bergkessel, C.M.Czekster. An Anti-Biofilm Cyclic Peptide Targets A Secreted Aminopeptidase From P. Aeruginosa. Nat.Chem.Biol. 2023.
ISSN: ESSN 1552-4469
PubMed: 37386135
DOI: 10.1038/S41589-023-01373-8