Arsenic in PDB 4nlt: Poliovirus Polymerase - S291P Loop Mutant

All present enzymatic activity of Poliovirus Polymerase - S291P Loop Mutant:
2.7.7.48;

The structure of Poliovirus Polymerase - S291P Loop Mutant, PDB code: 4nlt 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 / 2.50
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	129.376, 129.376, 111.931, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 25.6

The structure of Poliovirus Polymerase - S291P Loop Mutant also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Arsenic atom in the Poliovirus Polymerase - S291P Loop Mutant (pdb code 4nlt). 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 - S291P Loop Mutant, PDB code: 4nlt:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in the Poliovirus Polymerase - S291P 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 - S291P Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As96 b:63.4 occ:1.00 AS A:CAS96 0.0 63.4 1.0 CE2 A:CAS96 2.2 60.7 1.0 CE1 A:CAS96 2.3 60.1 1.0 SG A:CAS96 2.3 57.6 1.0 CB A:CAS96 3.2 50.8 1.0 OD2 A:ASP99 4.3 52.1 1.0 CG A:ASP99 4.6 50.5 1.0 CA A:CAS96 4.6 47.9 1.0 CB A:GLU98 4.7 50.3 1.0 OD1 A:ASP99 4.7 52.6 1.0 OE1 A:GLU98 4.7 59.3 1.0

Arsenic binding site 2 out of 4 in the Poliovirus Polymerase - S291P 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 - S291P Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As212 b:58.7 occ:1.00 AS A:CAS212 0.0 58.7 1.0 CE2 A:CAS212 2.2 52.3 1.0 CE1 A:CAS212 2.2 55.5 1.0 SG A:CAS212 2.2 37.6 1.0 CB A:CAS212 3.2 33.6 1.0 CD1 A:LEU374 3.2 34.8 1.0 O A:ALA209 3.5 23.8 1.0 O A:CAS212 3.5 25.6 1.0 C A:CAS212 3.8 27.4 1.0 CA A:CAS212 3.9 28.7 1.0 CG A:PRO214 3.9 25.8 1.0 CD A:PRO214 4.0 25.4 1.0 CE2 A:TYR326 4.1 27.4 1.0 N A:CAS212 4.1 28.1 1.0 CD2 A:TYR326 4.1 25.2 1.0 C A:ALA209 4.5 25.1 1.0 CB A:ALA209 4.6 25.1 1.0 CG A:LEU374 4.7 34.3 1.0 N A:ASP213 4.7 25.6 1.0 N A:PRO214 4.7 24.9 1.0 CZ3 A:TRP218 4.9 15.6 1.0

Arsenic binding site 3 out of 4 in the Poliovirus Polymerase - S291P 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 - S291P Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As281 b:31.3 occ:1.00 AS A:CAS281 0.0 31.3 1.0 CE2 A:CAS281 2.2 29.4 1.0 CE1 A:CAS281 2.2 26.7 1.0 SG A:CAS281 2.3 29.0 1.0 CB A:CAS281 3.2 27.7 1.0 O A:SER271 3.6 27.8 1.0 CA A:CAS281 3.9 27.8 1.0 C A:SER271 4.2 29.6 1.0 CA A:HIS272 4.4 30.5 1.0 CZ2 A:TRP5 4.5 28.5 1.0 N A:HIS272 4.6 30.7 1.0 CB A:HIS272 4.6 31.9 1.0 C A:CAS281 4.7 27.3 1.0 N A:VAL282 4.8 26.0 1.0 CD2 A:HIS272 4.9 32.8 1.0 CG A:HIS272 4.9 30.4 1.0 ND1 A:HIS270 5.0 33.4 1.0 N A:CAS281 5.0 28.9 1.0

Arsenic binding site 4 out of 4 in the Poliovirus Polymerase - S291P 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 - S291P Loop Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:As290 b:70.0 occ:1.00 AS A:CAS290 0.0 70.0 1.0 CE2 A:CAS290 2.2 66.7 1.0 CE1 A:CAS290 2.3 67.3 1.0 SG A:CAS290 2.3 64.3 1.0 CB A:CAS290 3.2 60.5 1.0 CA A:CAS290 4.0 57.8 1.0 CG2 A:THR114 4.0 39.1 1.0 CB A:THR114 4.0 41.6 1.0 O A:GLY289 4.3 53.1 1.0 CD A:PRO291 4.5 58.7 1.0 OG1 A:THR114 4.5 41.9 1.0 N A:CAS290 4.6 55.2 1.0 CG2 A:ILE176 4.7 28.0 1.0 C A:GLY289 4.7 53.0 1.0 CB A:ALA178 4.9 29.0 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