Chlorine in PDB 5fdg: Endonuclease Inhibitor 3 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0

The structure of Endonuclease Inhibitor 3 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0, PDB code: 5fdg 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)	37.76 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.438, 66.438, 126.977, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.8

The structure of Endonuclease Inhibitor 3 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 3 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0 (pdb code 5fdg). 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 3 Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region at pH 7.0, PDB code: 5fdg:

Chlorine binding site 1 out of 1 in the Endonuclease Inhibitor 3 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 3 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:Cl204 b:70.0 occ:1.00 CL2 A:0N8204 0.0 70.0 1.0 C19 A:0N8204 1.7 60.2 1.0 C18 A:0N8204 2.7 38.9 1.0 C20 A:0N8204 2.7 52.2 1.0 CD A:LYS119 3.7 53.7 1.0 CB A:LYS122 4.0 51.9 1.0 C17 A:0N8204 4.0 46.6 1.0 CG A:LYS122 4.0 70.2 1.0 C21 A:0N8204 4.0 52.4 1.0 CD A:LYS122 4.1 65.9 1.0 O A:LYS119 4.1 35.9 1.0 CG2 A:ILE123 4.2 46.7 1.0 NZ A:LYS119 4.4 54.0 1.0 CG A:LYS119 4.4 33.1 1.0 CE A:LYS119 4.4 35.9 1.0 CA A:LYS119 4.4 37.5 1.0 N A:ILE123 4.5 62.3 1.0 C16 A:0N8204 4.5 40.4 1.0 CB A:LYS119 4.7 32.3 1.0 C A:LYS119 4.8 34.7 1.0 C A:LYS122 4.8 67.3 1.0 CA A:LYS122 4.9 45.4 1.0 CA A:ILE123 4.9 70.4 1.0 CE A:LYS122 5.0 71.2 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