Chlorine in PDB 5ewn: Crystal Structure of the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution

The structure of Crystal Structure of the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution, PDB code: 5ewn was solved by R.L.York, P.A.Yousefi, W.Bogdanoff, S.Haile, S.Tripathi, R.M.Dubois, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.47 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.243, 71.098, 158.911, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.4

The binding sites of Chlorine atom in the Crystal Structure of the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution (pdb code 5ewn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution, PDB code: 5ewn:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution


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 Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:30.0 occ:1.00 OG1 A:THR100 2.9 26.2 1.0 O A:HOH648 3.2 25.8 1.0 N A:TRP173 3.5 25.6 1.0 CB A:THR100 3.5 19.4 1.0 CA A:SER172 3.7 27.5 1.0 C A:SER172 4.0 26.3 1.0 CB A:SER172 4.1 32.6 1.0 CG2 A:THR100 4.2 16.1 1.0 CB A:TRP173 4.3 24.2 1.0 CA A:TRP173 4.4 23.2 1.0 CL A:CL502 4.7 30.0 1.0 CA A:THR100 4.8 17.5 1.0 O A:THR171 4.9 66.2 1.0 N A:THR100 4.9 26.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution


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 the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:30.0 occ:1.00 CB A:SER172 3.6 32.6 1.0 N A:SER174 3.6 21.7 1.0 CB A:SER174 3.6 20.2 1.0 OG A:SER174 3.7 37.9 1.0 N A:TRP173 3.8 25.6 1.0 OG A:SER172 4.1 25.6 1.0 CB A:TRP173 4.2 24.2 1.0 CA A:SER174 4.2 20.6 1.0 CA A:TRP173 4.3 23.2 1.0 C A:TRP173 4.4 22.9 1.0 C A:SER172 4.5 26.3 1.0 CA A:SER172 4.6 27.5 1.0 CL A:CL501 4.7 30.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution


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 the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:30.0 occ:1.00 N B:TRP173 3.4 16.8 1.0 OG1 B:THR100 3.5 31.3 1.0 CA B:SER172 3.8 13.6 1.0 CB B:SER172 3.9 9.4 1.0 CB B:THR100 4.0 11.6 1.0 C B:SER172 4.1 18.3 1.0 CB B:TRP173 4.2 24.7 1.0 CA B:TRP173 4.4 26.5 1.0 CL B:CL502 4.5 30.0 1.0 CG2 B:THR100 4.9 21.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Human Astrovirus 1 Capsid Protein Core Domain at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:30.0 occ:1.00 N B:SER174 3.6 24.0 1.0 CB B:SER172 3.7 9.4 1.0 OG B:SER174 3.8 35.7 1.0 OG B:SER172 3.8 24.2 1.0 N B:TRP173 4.0 16.8 1.0 CB B:SER174 4.1 30.9 1.0 CB B:TRP173 4.2 24.7 1.0 CA B:TRP173 4.4 26.5 1.0 CA B:SER174 4.5 33.3 1.0 CL B:CL501 4.5 30.0 1.0 C B:TRP173 4.5 25.0 1.0 C B:SER172 4.6 18.3 1.0 CA B:SER172 4.7 13.6 1.0

R.L.York, P.A.Yousefi, W.Bogdanoff, S.Haile, S.Tripathi, R.M.Dubois. Structural, Mechanistic, and Antigenic Characterization of the Human Astrovirus Capsid. J.Virol. V. 90 2254 2015.
ISSN: ESSN 1098-5514
PubMed: 26656707
DOI: 10.1128/JVI.02666-15