Arsenic in PDB 1ra6: Poliovirus Polymerase Full Length Apo Structure

All present enzymatic activity of Poliovirus Polymerase Full Length Apo Structure:
2.7.7.48;

The structure of Poliovirus Polymerase Full Length Apo Structure, PDB code: 1ra6 was solved by A.A.Thompson, 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 (°)	127.590, 127.590, 112.971, 90.00, 90.00, 120.00
R / Rfree (%)	23.1 / 24.7

The binding sites of Arsenic atom in the Poliovirus Polymerase Full Length Apo Structure (pdb code 1ra6). 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 Full Length Apo Structure, PDB code: 1ra6:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in the Poliovirus Polymerase Full Length Apo Structure


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Poliovirus Polymerase Full Length Apo Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:As96 b:99.3 occ:1.00 AS A:CAS96 0.0 99.3 1.0 CE2 A:CAS96 2.2 97.2 1.0 CE1 A:CAS96 2.2 97.3 1.0 SG A:CAS96 2.3 95.3 1.0 CB A:CAS96 3.2 87.8 1.0 OD2 A:ASP99 4.1 75.8 1.0 CB A:GLU98 4.3 80.0 1.0 CG A:ASP99 4.6 75.5 1.0 CA A:CAS96 4.6 84.7 1.0 CD A:GLU98 4.9 82.1 1.0 OD1 A:ASP99 5.0 76.0 1.0 N A:ASP99 5.0 76.5 1.0

Arsenic binding site 2 out of 4 in the Poliovirus Polymerase Full Length Apo Structure


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Poliovirus Polymerase Full Length Apo Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:As212 b:76.0 occ:1.00 AS A:CAS212 0.0 76.0 1.0 CE2 A:CAS212 2.2 62.1 1.0 CE1 A:CAS212 2.2 67.2 1.0 SG A:CAS212 2.3 45.4 1.0 CB A:CAS212 3.3 43.6 1.0 CD1 A:LEU374 3.5 40.9 1.0 O A:CAS212 3.5 36.6 1.0 O A:ALA209 3.7 35.8 1.0 C A:CAS212 3.8 36.2 1.0 CA A:CAS212 3.8 37.8 1.0 N A:CAS212 3.8 37.3 1.0 CG A:PRO214 4.1 27.3 1.0 CD A:PRO214 4.1 28.2 1.0 CE2 A:TYR326 4.2 44.2 1.0 CD2 A:TYR326 4.3 41.9 1.0 N A:ASP213 4.6 33.1 1.0 C A:ALA209 4.7 35.6 1.0 O A:HOH538 4.8 42.5 1.0 CG A:LEU374 4.8 41.1 1.0 N A:PRO214 4.8 29.3 1.0 CB A:ALA209 4.9 33.9 1.0 C A:GLY211 4.9 40.0 1.0 N A:GLY211 5.0 38.5 1.0 CD2 A:LEU374 5.0 41.7 1.0

Arsenic binding site 3 out of 4 in the Poliovirus Polymerase Full Length Apo Structure


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Poliovirus Polymerase Full Length Apo Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:As281 b:61.0 occ:1.00 AS A:CAS281 0.0 61.0 1.0 CE2 A:CAS281 2.2 57.7 1.0 CE1 A:CAS281 2.2 55.1 1.0 SG A:CAS281 2.3 54.0 1.0 CB A:CAS281 3.1 51.6 1.0 CA A:CAS281 3.8 49.5 1.0 CB A:HIS272 3.9 47.1 1.0 CA A:HIS272 4.0 46.8 1.0 CZ2 A:TRP5 4.0 40.3 1.0 O A:SER271 4.0 43.3 1.0 CG A:HIS272 4.2 47.7 1.0 N A:HIS272 4.3 46.7 1.0 C A:SER271 4.3 45.4 1.0 CD2 A:HIS272 4.3 46.5 1.0 CH2 A:TRP5 4.6 42.3 1.0 CE2 A:TRP5 4.6 39.5 1.0 N A:CAS281 4.8 50.1 1.0 NE1 A:TRP5 4.8 40.7 1.0 C A:CAS281 4.9 45.8 1.0 O A:TYR280 4.9 49.7 1.0

Arsenic binding site 4 out of 4 in the Poliovirus Polymerase Full Length Apo Structure


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Poliovirus Polymerase Full Length Apo Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:As290 b:72.8 occ:1.00 AS A:CAS290 0.0 72.8 1.0 CE2 A:CAS290 2.2 68.8 1.0 CE1 A:CAS290 2.2 70.7 1.0 SG A:CAS290 2.3 61.8 1.0 CB A:CAS290 3.1 56.3 1.0 CD2 A:LEU268 3.2 39.9 1.0 SD A:MET187 3.7 60.1 1.0 CG A:LEU268 4.2 40.8 1.0 CA A:CAS290 4.4 52.6 1.0 CB A:SER179 4.6 54.2 1.0 CE A:MET187 4.6 58.5 1.0 CD2 A:LEU154 4.8 51.6 1.0 CA A:LEU268 4.9 41.0 1.0 N A:SER291 5.0 48.9 1.0 CD2 A:TYR267 5.0 69.9 1.0

A.A.Thompson, O.B.Peersen. Structural Basis For Proteolysis-Dependent Activation of the Poliovirus Rna-Dependent Rna Polymerase. Embo J. V. 23 3462 2004.
ISSN: ISSN 0261-4189
PubMed: 15306852
DOI: 10.1038/SJ.EMBOJ.7600357