Chlorine in PDB 5i13: Endonuclease Inhibitor 2 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0

The structure of Endonuclease Inhibitor 2 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0, PDB code: 5i13 was solved by S.Fudo, N.Yamamoto, M.Nukaga, T.Odagiri, M.Tashiro, T.Hoshino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.96 / 2.15
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.580, 66.580, 128.314, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.3

The structure of Endonuclease Inhibitor 2 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Endonuclease Inhibitor 2 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0 (pdb code 5i13). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Endonuclease Inhibitor 2 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0, PDB code: 5i13:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Endonuclease Inhibitor 2 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Endonuclease Inhibitor 2 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:88.8 occ:1.00 CLS A:4P9304 0.0 88.8 1.0 CAR A:4P9304 1.7 63.0 1.0 CAQ A:4P9304 2.7 47.4 1.0 CAP A:4P9304 2.7 46.2 1.0 CE2 A:PHE191 3.2 28.6 1.0 CD2 A:PHE191 3.3 30.7 1.0 CB A:ARG124 3.4 43.2 1.0 CH2 A:TRP188 3.5 33.4 1.0 CA A:ARG192 3.6 41.3 1.0 CZ3 A:TRP188 3.7 29.8 1.0 CAO A:4P9304 4.0 39.4 1.0 CAN A:4P9304 4.0 52.3 1.0 N A:ARG192 4.0 40.1 1.0 CZ A:PHE191 4.1 34.0 1.0 CD1 A:PHE150 4.1 29.4 1.0 CE1 A:PHE150 4.1 30.9 1.0 CB A:ARG192 4.1 43.7 1.0 O A:PHE191 4.2 31.0 1.0 CG A:ARG124 4.2 47.0 1.0 CG A:PHE191 4.3 33.6 1.0 C A:PHE191 4.3 29.8 1.0 CZ2 A:TRP188 4.3 39.1 1.0 CAM A:4P9304 4.5 57.1 1.0 N A:ARG124 4.6 35.1 1.0 CG A:ARG192 4.6 43.8 1.0 C A:ARG192 4.6 43.2 1.0 CA A:ARG124 4.6 40.9 1.0 CE3 A:TRP188 4.6 34.6 1.0 O A:ARG192 4.6 42.7 1.0 CG A:PHE150 4.8 31.1 1.0 CZ A:PHE150 4.8 33.0 1.0 OE1 A:GLU195 4.8 37.5 1.0 CE1 A:PHE191 4.9 40.0 1.0 CD1 A:PHE191 4.9 25.5 1.0

Chlorine binding site 2 out of 2 in the Endonuclease Inhibitor 2 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Endonuclease Inhibitor 2 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:0.4 occ:1.00 CLS A:4P9305 0.0 0.4 1.0 CAR A:4P9305 1.7 0.2 1.0 CAQ A:4P9305 2.7 0.6 1.0 CAP A:4P9305 2.7 0.5 1.0 CAN A:4P9305 4.0 0.2 1.0 CAO A:4P9305 4.0 95.3 1.0 CAM A:4P9305 4.5 0.6 1.0

S.Fudo, N.Yamamoto, M.Nukaga, T.Odagiri, M.Tashiro, T.Hoshino. Two Distinctive Binding Modes of Endonuclease Inhibitors to the N-Terminal Region of Influenza Virus Polymerase Acidic Subunit Biochemistry V. 55 2646 2016.
ISSN: ISSN 0006-2960
PubMed: 27088785
DOI: 10.1021/ACS.BIOCHEM.5B01087