Chlorine in PDB 4zi0: Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site

The structure of Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site, PDB code: 4zi0 was solved by S.Fudo, N.Yamamoto, M.Nukaga, T.Odagiri, M.Tashiro, S.Neya, T.Hoshino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.28 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.758, 66.758, 126.744, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 22.5

The structure of Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site (pdb code 4zi0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site, PDB code: 4zi0:

Chlorine binding site 1 out of 1 in the Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:54.9 occ:1.00 CLS A:4P9304 0.0 54.9 1.0 CAR A:4P9304 1.7 48.3 1.0 CAQ A:4P9304 2.7 40.8 1.0 CAP A:4P9304 2.7 41.9 1.0 C A:THR123 3.4 35.6 1.0 CE2 A:PHE150 3.5 33.8 1.0 CA A:THR123 3.5 30.5 1.0 N A:ARG124 3.5 33.9 1.0 OE1 A:GLU195 3.6 34.2 1.0 CD2 A:PHE150 3.7 35.8 1.0 O A:VAL122 3.9 31.5 1.0 N A:THR123 3.9 28.7 1.0 CAO A:4P9304 4.0 41.1 1.0 O A:THR123 4.0 31.1 1.0 CAN A:4P9304 4.0 40.8 1.0 C A:VAL122 4.1 37.4 1.0 CD A:GLU195 4.2 35.8 1.0 CG1 A:VAL122 4.3 33.0 1.0 CB A:ARG124 4.3 38.6 1.0 CAM A:4P9304 4.5 49.3 1.0 CA A:ARG124 4.5 30.7 1.0 O A:HOH513 4.5 45.7 1.0 CE2 A:PHE191 4.6 30.8 1.0 OE2 A:GLU195 4.7 38.5 1.0 CZ A:PHE150 4.7 30.6 1.0 CZ A:PHE191 4.8 34.4 1.0 CB A:THR123 4.8 36.3 1.0 O A:HOH507 4.9 46.2 1.0 CG A:GLU195 4.9 37.3 1.0 CB A:GLU195 5.0 31.7 1.0

S.Fudo, N.Yamamoto, M.Nukaga, T.Odagiri, M.Tashiro, S.Neya, T.Hoshino. Analysis of the Distinctive Binding Modes of Two Endonuclease Inhibitors to Influenza Virus Polymerase Acidic Subunit N-Terminal Region To Be Published.