Chlorine in PDB 4y2a: Crystal Structure of Coxsackie Virus B3 3D Polymerase in Complex with Gpc-N114 Inhibitor

The structure of Crystal Structure of Coxsackie Virus B3 3D Polymerase in Complex with Gpc-N114 Inhibitor, PDB code: 4y2a was solved by L.Vives-Adrian, C.Ferrer-Orta, N.Verdaguer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.36 / 2.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.740, 74.740, 289.050, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25

The binding sites of Chlorine atom in the Crystal Structure of Coxsackie Virus B3 3D Polymerase in Complex with Gpc-N114 Inhibitor (pdb code 4y2a). 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 Crystal Structure of Coxsackie Virus B3 3D Polymerase in Complex with Gpc-N114 Inhibitor, PDB code: 4y2a:

Chlorine binding site 1 out of 1 in the Crystal Structure of Coxsackie Virus B3 3D Polymerase in Complex with Gpc-N114 Inhibitor


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 Coxsackie Virus B3 3D Polymerase in Complex with Gpc-N114 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:0.2 occ:0.80 CL A:1FS501 0.0 0.2 0.8 C11 A:1FS501 1.8 0.4 0.8 C10 A:1FS501 2.6 0.7 0.8 C12 A:1FS501 2.9 0.2 0.8 N A:GLU108 3.3 54.8 1.0 CD1 A:LEU107 3.4 50.0 1.0 NE2 A:HIS199 3.7 56.1 1.0 C9 A:1FS501 3.9 0.4 0.8 CB A:GLU108 3.9 60.1 1.0 CA A:LEU107 3.9 50.3 1.0 C A:LEU107 4.0 54.2 1.0 O A:GLU108 4.0 51.3 1.0 CA A:GLU108 4.1 57.1 1.0 C13 A:1FS501 4.2 0.9 0.8 CG A:LEU107 4.2 45.7 1.0 CD2 A:HIS199 4.2 55.9 1.0 NH1 A:ARG188 4.5 46.5 1.0 C A:GLU108 4.5 58.0 1.0 C8 A:1FS501 4.5 0.0 0.8 CB A:LEU107 4.6 43.9 1.0 CE1 A:HIS199 4.6 53.3 1.0 OE1 A:GLU108 4.8 65.7 1.0

L.Van Der Linden, L.Vives-Adrian, B.Selisko, C.Ferrer-Orta, X.Liu, K.Lanke, R.Ulferts, A.M.De Palma, F.Tanchis, N.Goris, D.Lefevbre, K.De Clercq, P.Leyssen, C.Lacroix, G.Purstinger, B.Coutard, B.Canard, D.D.Boehr, J.J.Arnold, C.E.Cameron, N.Verdaguer, J.Neyts, F.Van Kuppeveld. The Rna Template Channel of the Rna-Dependent Rna Polymerase As A Target For Development of Antiviral Therapy of Multiple Genera Within A Virus Family Plos Pathog..
ISSN: ESSN 1553-7374
PubMed: 25799064
DOI: 10.1371/JOURNAL.PPAT.1004733