Chlorine in PDB 5c8c: Crystal Structure of Recombinant Coxsackievirus A16 Capsid

The structure of Crystal Structure of Recombinant Coxsackievirus A16 Capsid, PDB code: 5c8c was solved by J.Ren, X.Wang, L.Zhu, Z.Hu, Q.Gao, P.Yang, X.Li, J.Wang, X.Shen, E.E.Fry, Z.Rao, D.I.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.70 / 2.50
Space group	P 42 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	347.900, 347.900, 347.900, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 17.2

The structure of Crystal Structure of Recombinant Coxsackievirus A16 Capsid also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Recombinant Coxsackievirus A16 Capsid (pdb code 5c8c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Recombinant Coxsackievirus A16 Capsid, PDB code: 5c8c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Recombinant Coxsackievirus A16 Capsid


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 Recombinant Coxsackievirus A16 Capsid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:26.6 occ:1.00 O A:HOH463 2.9 25.7 1.0 NE A:ARG250 3.3 13.3 1.0 CD A:ARG250 3.9 11.1 1.0 CD2 A:LEU89 4.0 4.1 1.0 CD1 A:ILE92 4.1 7.7 1.0 CZ A:ARG250 4.2 19.2 1.0 NH1 A:ARG250 4.3 16.4 1.0 OH A:TYR252 4.7 16.4 1.0 CG A:ARG250 4.8 11.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Recombinant Coxsackievirus A16 Capsid


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 Recombinant Coxsackievirus A16 Capsid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:33.0 occ:1.00 O B:HOH670 3.2 30.2 1.0 O B:HOH676 3.2 12.3 1.0 N B:ILE204 3.4 19.4 1.0 CA B:THR203 3.4 16.5 1.0 O A:HOH419 3.5 12.7 1.0 CB B:THR203 3.7 16.8 1.0 CG1 B:ILE204 3.8 16.1 1.0 C B:THR203 3.9 19.3 1.0 CG2 B:ILE204 3.9 10.7 1.0 O B:GLY202 4.3 15.2 1.0 O B:HOH565 4.3 18.0 1.0 CB B:ILE204 4.3 17.5 1.0 CG2 B:THR203 4.3 12.4 1.0 CA B:ILE204 4.4 13.5 1.0 CD1 B:ILE204 4.7 10.1 1.0 N B:THR203 4.7 12.5 1.0 O B:HOH577 4.9 20.4 1.0 C B:GLY202 4.9 16.6 1.0 OG1 B:THR230 4.9 44.5 1.0 OG1 B:THR203 5.0 19.6 1.0

J.Ren, X.Wang, L.Zhu, Z.Hu, Q.Gao, P.Yang, X.Li, J.Wang, X.Shen, E.E.Fry, Z.Rao, D.I.Stuart. Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications For Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol. V. 89 10500 2015.
ISSN: ESSN 1098-5514
PubMed: 26269176
DOI: 10.1128/JVI.01102-15