Chlorine in PDB 3zfe: Human Enterovirus 71 in Complex with Capsid Binding Inhibitor WIN51711

The structure of Human Enterovirus 71 in Complex with Capsid Binding Inhibitor WIN51711, PDB code: 3zfe was solved by P.Plevka, R.Perera, M.L.Yap, J.Cardosa, R.J.Kuhn, M.G.Rossmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.4 / 2.70
Space group	I 2 3 14
Cell size a, b, c (Å), α, β, γ (°)	594.500, 594.500, 594.500, 90.00, 90.00, 90.00
R / Rfree (%)	24.02 / n/a

The structure of Human Enterovirus 71 in Complex with Capsid Binding Inhibitor WIN51711 also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the Human Enterovirus 71 in Complex with Capsid Binding Inhibitor WIN51711 (pdb code 3zfe). 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 Human Enterovirus 71 in Complex with Capsid Binding Inhibitor WIN51711, PDB code: 3zfe:

Chlorine binding site 1 out of 1 in the Human Enterovirus 71 in Complex with Capsid Binding Inhibitor WIN51711


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Enterovirus 71 in Complex with Capsid Binding Inhibitor WIN51711 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1244 b:37.1 occ:1.00 N C:GLY91 3.4 41.3 1.0 N C:ALA181 3.5 22.0 1.0 NE1 C:TRP111 3.5 14.8 1.0 CD C:PRO90 3.7 14.9 1.0 CB C:ASP89 3.8 39.4 1.0 N C:PRO90 3.9 23.0 1.0 CA C:HIS180 3.9 34.1 1.0 CA C:GLY91 4.0 41.3 1.0 CA C:ASP89 4.1 26.8 1.0 C C:ASP89 4.1 26.8 1.0 C C:GLY91 4.1 41.3 1.0 CB C:ALA181 4.2 8.3 1.0 C C:HIS180 4.2 34.1 1.0 CE2 C:TRP111 4.3 14.8 1.0 N C:ARG92 4.3 25.6 1.0 O C:ALA179 4.3 17.4 1.0 CZ2 C:TRP111 4.4 14.8 1.0 CA C:ALA181 4.4 22.0 1.0 C C:PRO90 4.4 23.0 1.0 CD1 C:TRP111 4.5 14.8 1.0 CG C:ASP89 4.5 39.4 1.0 OD1 C:ASP89 4.6 39.4 1.0 CA C:PRO90 4.6 23.0 1.0 CD2 C:HIS180 4.6 41.2 1.0 O C:GLY91 4.7 41.3 1.0 CB C:HIS180 4.7 41.2 1.0 CB C:ARG92 4.7 22.9 1.0 CG C:PRO90 4.8 14.9 1.0 O C:ASP89 4.8 26.8 1.0 O C:TYR189 4.9 24.2 1.0 CB C:PRO90 4.9 14.9 1.0 CG C:HIS180 4.9 41.2 1.0 N C:HIS180 4.9 34.1 1.0 O C:ALA181 5.0 22.0 1.0 C C:ALA179 5.0 17.4 1.0

P.Plevka, R.Perera, M.L.Yap, J.Cardosa, R.J.Kuhn, M.G.Rossmann. Structure of Human Enterovirus 71 in Complex with A Capsid- Binding Inhibitor. Proc.Natl.Acad.Sci.Usa V. 110 5463 2013.
ISSN: ISSN 0027-8424
PubMed: 23509286
DOI: 10.1073/PNAS.1222379110