Chlorine in PDB 5abj: Structure of Coxsackievirus A16 in Complex with GPP3

The structure of Structure of Coxsackievirus A16 in Complex with GPP3, PDB code: 5abj was solved by L.De Colibus, X.Wang, A.Tijsma, J.Neyts, J.A.B.Spyrou, J.Ren, J.M.Grimes, G.Puerstinger, P.Leyssen, 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)	49.95 / 2.75
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	491.600, 491.600, 709.560, 90.00, 90.00, 90.00
R / Rfree (%)	30.5 / 30.7

The structure of Structure of Coxsackievirus A16 in Complex with GPP3 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Structure of Coxsackievirus A16 in Complex with GPP3 (pdb code 5abj). 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 Structure of Coxsackievirus A16 in Complex with GPP3, PDB code: 5abj:

Chlorine binding site 1 out of 1 in the Structure of Coxsackievirus A16 in Complex with GPP3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Coxsackievirus A16 in Complex with GPP3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1298 b:28.5 occ:1.00 NE A:ARG250 3.1 21.3 1.0 CD A:ARG250 3.8 17.8 1.0 CD2 A:LEU89 4.0 17.4 1.0 CZ A:ARG250 4.0 22.0 1.0 NH2 A:ARG250 4.1 20.1 1.0 CD1 A:ILE92 4.1 17.8 1.0 CG A:ARG250 4.8 18.4 1.0 OH A:TYR252 4.9 16.4 1.0

L.De Colibus, X.Wang, A.Tijsma, J.Neyts, J.A.B.Spyrou, J.Ren, J.M.Grimes, G.Puerstinger, P.Leyssen, E.E.Fry, Z.Rao, D.I.Stuart. Structure Elucidation of Coxsackievirus A16 in Complex with GPP3 Informs A Systematic Review of Highly Potent Capsid Binders to Enteroviruses. Plos Pathog. V. 11 5165 2015.
ISSN: ISSN 1553-7366
PubMed: 26485389
DOI: 10.1371/JOURNAL.PPAT.1005165