Arsenic in PDB 4nls: Poliovirus Polymerase - S288A Loop Mutant

All present enzymatic activity of Poliovirus Polymerase - S288A Loop Mutant:
2.7.7.48;

The structure of Poliovirus Polymerase - S288A Loop Mutant, PDB code: 4nls 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)	30.00 / 2.00
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	129.304, 129.304, 112.512, 90.00, 90.00, 120.00
R / Rfree (%)	23.4 / 25.6

The structure of Poliovirus Polymerase - S288A Loop Mutant also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Arsenic atom in the Poliovirus Polymerase - S288A Loop Mutant (pdb code 4nls). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Poliovirus Polymerase - S288A Loop Mutant, PDB code: 4nls:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in the Poliovirus Polymerase - S288A 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 - S288A Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As96 b:63.6 occ:1.00 AS A:CAS96 0.0 63.6 1.0 CE2 A:CAS96 2.2 60.4 1.0 CE1 A:CAS96 2.2 59.4 1.0 SG A:CAS96 2.3 53.7 1.0 CB A:CAS96 3.1 50.5 1.0 O A:HOH1129 4.4 47.4 1.0 OD2 A:ASP99 4.5 52.0 1.0 CA A:CAS96 4.6 48.5 1.0 CG A:ASP99 4.7 51.3 1.0 OD1 A:ASP99 4.8 53.7 1.0 CB A:GLU98 4.8 48.8 1.0 O A:HOH1202 5.0 69.5 1.0

Arsenic binding site 2 out of 4 in the Poliovirus Polymerase - S288A 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 - S288A Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As212 b:56.0 occ:1.00 AS A:CAS212 0.0 56.0 1.0 CE2 A:CAS212 2.2 47.1 1.0 CE1 A:CAS212 2.2 51.9 1.0 SG A:CAS212 2.2 33.3 1.0 CD1 A:LEU374 3.2 40.8 1.0 CB A:CAS212 3.2 33.2 1.0 O A:ALA209 3.5 25.5 1.0 O A:CAS212 3.7 27.0 1.0 CE2 A:TYR326 3.9 36.1 1.0 CA A:CAS212 3.9 29.4 1.0 CD2 A:TYR326 4.0 34.7 1.0 C A:CAS212 4.0 29.2 1.0 N A:CAS212 4.0 29.6 1.0 CG A:PRO214 4.2 25.4 1.0 CD A:PRO214 4.4 26.8 1.0 C A:ALA209 4.5 27.1 1.0 CG A:LEU374 4.5 36.8 1.0 CB A:ALA209 4.6 27.1 1.0 CD2 A:LEU374 4.7 38.2 1.0 N A:ASP213 4.9 27.8 1.0 O A:HOH1032 5.0 39.4 1.0

Arsenic binding site 3 out of 4 in the Poliovirus Polymerase - S288A 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 - S288A Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As281 b:36.9 occ:1.00 AS A:CAS281 0.0 36.9 1.0 CE2 A:CAS281 2.2 37.5 1.0 CE1 A:CAS281 2.2 34.8 1.0 SG A:CAS281 2.2 34.4 1.0 CB A:CAS281 3.1 32.8 1.0 CB A:HIS272 3.7 33.1 1.0 CA A:CAS281 3.7 31.9 1.0 O A:SER271 3.9 29.8 1.0 C A:SER271 4.2 30.1 1.0 CA A:HIS272 4.3 31.5 1.0 N A:HIS272 4.3 30.4 1.0 CZ2 A:TRP5 4.5 30.6 1.0 CG A:HIS272 4.6 33.2 1.0 C A:CAS281 4.7 30.6 1.0 N A:VAL282 4.7 31.4 1.0 N A:CAS281 4.8 32.8 1.0 CD2 A:HIS270 5.0 39.4 1.0

Arsenic binding site 4 out of 4 in the Poliovirus Polymerase - S288A Loop Mutant


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Poliovirus Polymerase - S288A Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As290 b:76.5 occ:1.00 AS A:CAS290 0.0 76.5 1.0 CE2 A:CAS290 2.2 75.1 1.0 CE1 A:CAS290 2.2 74.7 1.0 SG A:CAS290 2.3 72.5 1.0 CB A:CAS290 3.2 66.7 1.0 CA A:CAS290 3.7 63.8 1.0 O A:GLY289 4.0 59.3 1.0 CG2 A:ILE176 4.1 42.3 1.0 N A:CAS290 4.3 61.2 1.0 CG2 A:THR114 4.3 56.0 1.0 C A:GLY289 4.3 58.8 1.0 CB A:THR114 4.7 55.2 1.0 C A:CAS290 4.9 63.7 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