Chlorine in PDB 4qpi: Crystal Structure of Hepatitis A Virus

The structure of Crystal Structure of Hepatitis A Virus, PDB code: 4qpi was solved by X.Wang, J.Ren, Q.Gao, Z.Hu, Y.Sun, X.Li, D.J.Rowlands, W.Yin, J.Wang, D.I.Stuart, Z.Rao, E.E.Fry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.97 / 3.01
Space group	P 1 21 1 4
Cell size a, b, c (Å), α, β, γ (°)	291.479, 423.261, 314.827, 90.00, 100.15, 90.00
R / Rfree (%)	31.8 / 32.1

The binding sites of Chlorine atom in the Crystal Structure of Hepatitis A Virus (pdb code 4qpi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Hepatitis A Virus, PDB code: 4qpi:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Hepatitis A Virus


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 Hepatitis A Virus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:3.2 occ:0.20 NH2 A:ARG193 2.6 0.1 1.0 CZ A:ARG193 3.9 0.1 1.0 CG A:ARG193 4.2 41.2 1.0 CD A:ARG193 4.4 46.2 1.0 NE A:ARG193 4.6 86.2 1.0 NH1 A:ARG193 4.7 0.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Hepatitis A Virus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hepatitis A Virus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:3.2 occ:0.20 NH1 A:ARG193 2.7 0.9 1.0 CZ A:ARG193 4.1 0.1 1.0 NH2 A:ARG193 4.7 0.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Hepatitis A Virus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Hepatitis A Virus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:65.8 occ:1.00 N A:GLU174 3.5 31.9 1.0 CB A:LYS173 4.0 29.8 1.0 CA A:LYS173 4.0 32.7 1.0 CB A:GLU174 4.1 41.5 1.0 C A:LYS173 4.3 32.0 1.0 CE A:LYS105 4.3 65.2 1.0 CA A:GLU174 4.5 40.2 1.0 CD A:LYS105 4.8 71.4 1.0

X.Wang, J.Ren, Q.Gao, Z.Hu, Y.Sun, X.Li, D.J.Rowlands, W.Yin, J.Wang, D.I.Stuart, Z.Rao, E.E.Fry. Hepatitis A Virus and the Origins of Picornaviruses. Nature 2014.
ISSN: ESSN 1476-4687
PubMed: 25327248
DOI: 10.1038/NATURE13806