Arsenic in PDB 4nly: Poliovirus Polymerase - C290E Loop Mutant

All present enzymatic activity of Poliovirus Polymerase - C290E Loop Mutant:
2.7.7.48;

The structure of Poliovirus Polymerase - C290E Loop Mutant, PDB code: 4nly was solved by A.J.Sholders, O.B.Peersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.81 / 2.30
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	128.802, 128.802, 111.679, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 23.9

The structure of Poliovirus Polymerase - C290E Loop Mutant also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Arsenic atom in the Poliovirus Polymerase - C290E Loop Mutant (pdb code 4nly). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Poliovirus Polymerase - C290E Loop Mutant, PDB code: 4nly:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in the Poliovirus Polymerase - C290E Loop Mutant


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Poliovirus Polymerase - C290E Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As96 b:60.9 occ:1.00 AS A:CAS96 0.0 60.9 1.0 CE2 A:CAS96 2.2 58.3 1.0 CE1 A:CAS96 2.3 57.2 1.0 SG A:CAS96 2.3 55.5 1.0 CB A:CAS96 3.1 50.1 1.0 OD2 A:ASP99 4.1 51.2 1.0 CG A:ASP99 4.6 48.4 1.0 CA A:CAS96 4.6 47.7 1.0 CB A:GLU98 4.8 49.2 1.0 OD1 A:ASP99 4.9 51.6 1.0

Arsenic binding site 2 out of 3 in the Poliovirus Polymerase - C290E Loop Mutant


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Poliovirus Polymerase - C290E Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As212 b:53.4 occ:1.00 AS A:CAS212 0.0 53.4 1.0 CE2 A:CAS212 2.2 46.2 1.0 CE1 A:CAS212 2.2 50.3 1.0 SG A:CAS212 2.3 33.5 1.0 CB A:CAS212 3.2 31.6 1.0 CD1 A:LEU374 3.4 37.6 1.0 O A:ALA209 3.4 22.5 1.0 O A:CAS212 3.6 25.9 1.0 C A:CAS212 3.9 27.0 1.0 CA A:CAS212 3.9 27.8 1.0 CE2 A:TYR326 4.0 38.2 1.0 CD2 A:TYR326 4.0 34.7 1.0 N A:CAS212 4.0 27.9 1.0 CG A:PRO214 4.2 23.7 1.0 CD A:PRO214 4.3 22.1 1.0 C A:ALA209 4.4 23.9 1.0 CB A:ALA209 4.7 23.7 1.0 CG A:LEU374 4.7 36.0 1.0 N A:ASP213 4.8 25.2 1.0 N A:PRO214 4.9 23.9 1.0

Arsenic binding site 3 out of 3 in the Poliovirus Polymerase - C290E Loop Mutant


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Poliovirus Polymerase - C290E Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As281 b:29.7 occ:1.00 AS A:CAS281 0.0 29.7 1.0 CE2 A:CAS281 2.2 31.0 1.0 CE1 A:CAS281 2.2 26.6 1.0 SG A:CAS281 2.2 27.4 1.0 CB A:CAS281 3.1 27.3 1.0 CB A:HIS272 3.5 31.3 1.0 CA A:CAS281 3.8 26.7 1.0 O A:SER271 3.8 26.3 1.0 C A:SER271 4.0 28.9 1.0 CA A:HIS272 4.1 29.8 1.0 N A:HIS272 4.1 28.9 1.0 CG A:HIS272 4.5 30.5 1.0 CZ2 A:TRP5 4.5 28.4 1.0 C A:CAS281 4.6 26.8 1.0 N A:VAL282 4.8 26.8 1.0 CA A:SER271 4.8 29.5 1.0 N A:CAS281 4.9 27.4 1.0 N A:SER271 4.9 30.1 1.0

A.J.Sholders, O.B.Peersen. Distinct Conformations of A Putative Translocation Element in Poliovirus Polymerase. J.Mol.Biol. V. 426 1407 2014.
ISSN: ISSN 0022-2836
PubMed: 24424421
DOI: 10.1016/J.JMB.2013.12.031