Chlorine in PDB 4e5h: Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3

The structure of Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3, PDB code: 4e5h was solved by R.M.Dubois, P.J.Slavish, T.R.Webb, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.05 / 2.16
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	126.101, 134.825, 125.905, 90.00, 90.00, 90.00
R / Rfree (%)	25.6 / 29

The structure of Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3 also contains other interesting chemical elements:

Manganese

(Mn)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3 (pdb code 4e5h). 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 Avian Influenza Virus Pan Bound to Compound 3, PDB code: 4e5h:

Chlorine binding site 1 out of 1 in the Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3


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 Avian Influenza Virus Pan Bound to Compound 3 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl305 b:0.2 occ:1.00 CL2 D:0N8305 0.0 0.2 1.0 C19 D:0N8305 1.8 99.5 1.0 C20 D:0N8305 2.8 99.1 1.0 C18 D:0N8305 2.8 99.0 1.0 OE2 D:GLU26 3.5 73.5 1.0 CD1 D:ILE38 3.6 41.8 1.0 NZ D:LYS34 3.9 57.0 1.0 C21 D:0N8305 4.1 98.6 1.0 C17 D:0N8305 4.1 98.5 1.0 CE D:LYS34 4.1 55.7 1.0 CD D:LYS34 4.2 53.0 1.0 CG1 D:ILE38 4.3 38.5 1.0 CD D:GLU26 4.4 73.3 1.0 OE1 D:GLU26 4.4 74.9 1.0 C16 D:0N8305 4.6 97.9 1.0 CD1 D:TYR24 4.6 70.7 1.0 CG D:LYS34 4.7 47.9 1.0 CE1 D:TYR24 4.9 71.7 1.0

R.M.Dubois, P.J.Slavish, B.M.Baughman, M.K.Yun, J.Bao, R.J.Webby, T.R.Webb, S.W.White. Structural and Biochemical Basis For Development of Influenza Virus Inhibitors Targeting the Pa Endonuclease. Plos Pathog. V. 8 02830 2012.
ISSN: ISSN 1553-7366
PubMed: 22876176
DOI: 10.1371/JOURNAL.PPAT.1002830