Zinc in PDB 6t3w: Coxsackie B3 2C Protein in Complex with S-Fluoxetine

All present enzymatic activity of Coxsackie B3 2C Protein in Complex with S-Fluoxetine:
2.7.7.48; 3.4.22.28; 3.4.22.29; 3.6.1.15;

The structure of Coxsackie B3 2C Protein in Complex with S-Fluoxetine, PDB code: 6t3w was solved by P.El Kazzi, N.Papageorgiou, F.P.Ferron, L.Bauer, F.Van Kuppeveld, B.Coutard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.69 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.992, 53.008, 79.369, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 22.2

The structure of Coxsackie B3 2C Protein in Complex with S-Fluoxetine also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Zinc atom in the Coxsackie B3 2C Protein in Complex with S-Fluoxetine (pdb code 6t3w). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Coxsackie B3 2C Protein in Complex with S-Fluoxetine, PDB code: 6t3w:

Zinc binding site 1 out of 1 in the Coxsackie B3 2C Protein in Complex with S-Fluoxetine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Coxsackie B3 2C Protein in Complex with S-Fluoxetine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:41.7 occ:0.70 SG A:CYS286 2.3 34.9 1.0 SG A:CYS269 2.4 45.3 1.0 SG A:CYS281 2.4 49.9 1.0 HB3 A:CYS286 2.7 40.8 1.0 HZ2 A:LYS288 3.0 55.9 1.0 CB A:CYS286 3.0 34.0 1.0 HB3 A:CYS281 3.2 56.8 1.0 HB2 A:CYS269 3.3 66.2 1.0 HB2 A:CYS286 3.4 40.8 1.0 CB A:CYS269 3.5 55.1 1.0 CB A:CYS281 3.5 47.3 1.0 O A:CYS282 3.6 32.1 1.0 H A:CYS282 3.6 50.5 1.0 HB3 A:CYS269 3.7 66.2 1.0 HD2 A:LYS288 3.7 54.8 1.0 N A:CYS282 3.8 42.0 1.0 C A:CYS282 3.8 36.3 1.0 NZ A:LYS288 3.9 46.6 1.0 HA A:CYS282 4.1 42.3 1.0 H A:CYS286 4.1 35.2 1.0 CA A:CYS282 4.1 35.2 1.0 HB2 A:CYS281 4.2 56.8 1.0 C A:CYS281 4.2 48.1 1.0 O A:HOH569 4.2 54.6 1.0 HA A:PRO283 4.2 34.5 1.0 HZ1 A:LYS288 4.3 55.9 1.0 HZ3 A:LYS288 4.3 55.9 1.0 CA A:CYS286 4.4 25.3 1.0 CA A:CYS281 4.4 46.0 1.0 N A:PRO283 4.5 30.8 1.0 HE3 A:LYS288 4.5 62.3 1.0 CD A:LYS288 4.5 45.6 1.0 N A:CYS286 4.5 29.4 1.0 CE A:LYS288 4.5 51.9 1.0 HA A:CYS281 4.6 55.2 1.0 H A:CYS269 4.6 71.9 1.0 HD3 A:PRO283 4.8 40.0 1.0 CA A:PRO283 4.9 28.7 1.0 CA A:CYS269 4.9 60.3 1.0 HB A:VAL285 4.9 37.9 1.0 O A:CYS281 4.9 45.7 1.0 HA A:CYS286 5.0 30.4 1.0 HG3 A:LYS288 5.0 47.9 1.0

P.El Kazzi, L.Bauer, N.Papageorgiou, F.P.Ferron, E.Decroly, B.Canard, A.Brancale, F.Van Kupperveld, B.Coutard. The Crystal Structure of Enterovirus 2C Catalytic Domain in Complex Withs-Fluoxetine Reveals Its Antiviral Mode of Action. To Be Published.