Chlorine in PDB 5wap: Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with Inhibitor 10I (Sri-30025)

The structure of Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with Inhibitor 10I (Sri-30025), PDB code: 5wap was solved by G.Kumar, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.79 / 2.20
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.653, 90.653, 135.170, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 24.5

The structure of Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with Inhibitor 10I (Sri-30025) also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with Inhibitor 10I (Sri-30025) (pdb code 5wap). 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 Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with Inhibitor 10I (Sri-30025), PDB code: 5wap:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with Inhibitor 10I (Sri-30025)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with Inhibitor 10I (Sri-30025) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:0.3 occ:1.00 CL1 A:KU9204 0.0 0.3 1.0 C23 A:KU9204 1.7 0.9 1.0 C22 A:KU9204 2.7 0.6 1.0 C18 A:KU9204 2.7 0.1 1.0 S1 A:KU9204 3.2 1.0 1.0 C3 A:KU9204 3.5 75.4 1.0 N2 A:KU9204 3.6 81.1 1.0 CG1 A:ILE38 3.7 70.2 1.0 C4 A:KU9204 3.7 75.1 1.0 C8 A:KU9204 3.9 82.5 1.0 N1 A:KU9204 3.9 79.3 1.0 C21 A:KU9204 4.0 0.6 1.0 C19 A:KU9204 4.0 0.8 1.0 C2 A:KU9204 4.0 70.1 1.0 C7 A:KU9204 4.1 83.2 1.0 C14 A:KU9204 4.1 79.9 1.0 OE1 A:GLU80 4.1 67.1 1.0 C9 A:KU9204 4.4 81.8 1.0 C6 A:KU9204 4.4 80.5 1.0 O3 A:KU9204 4.4 69.8 1.0 C20 A:KU9204 4.5 0.7 1.0 C1 A:KU9204 4.5 71.8 1.0 N4 A:KU9204 4.5 74.8 1.0 C17 A:KU9204 4.5 0.3 1.0 CB A:ILE38 4.6 64.6 1.0 O2 A:KU9204 4.6 67.6 1.0 CG2 A:ILE38 4.6 59.9 1.0 C16 A:KU9204 4.7 1.0 1.0 CD1 A:ILE38 4.7 71.2 1.0 C12 A:KU9204 4.7 84.9 1.0 C5 A:KU9204 4.7 80.0 1.0 CA A:ILE38 4.7 61.6 1.0 CD2 A:HIS41 4.8 61.0 1.0 C15 A:KU9204 4.8 85.2 1.0 CD A:GLU80 4.9 66.4 1.0 C10 A:KU9204 5.0 83.4 1.0

D.Beylkin, G.Kumar, W.Zhou, J.Park, T.Jeevan, C.Lagisetti, R.Harfoot, R.J.Webby, S.W.White, T.R.Webb. Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep V. 7 17139 2017.
ISSN: ESSN 2045-2322
PubMed: 29215062
DOI: 10.1038/S41598-017-17419-6