Chlorine in PDB 6t48: Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide

All present enzymatic activity of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide:
2.7.7.48; 3.4.22.28; 3.4.22.29; 3.6.1.15;

The structure of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide, PDB code: 6t48 was solved by H.M.E.Duyvesteyn, J.Ren, T.S.Walter, E.E.Fry, D.I.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 2.17
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	344.000, 349.400, 352.700, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 20.3

The structure of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide also contains other interesting chemical elements:

Potassium

(K)

4 atoms

The binding sites of Chlorine atom in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide (pdb code 6t48). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide, PDB code: 6t48:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl305 b:47.6 occ:1.00 OG1 C:THR179 3.5 12.7 1.0 N C:LEU180 3.6 7.5 1.0 CB C:ILE90 3.8 12.4 1.0 CG2 C:ILE90 3.8 9.7 1.0 O C:HOH437 4.1 25.2 1.0 N C:GLU181 4.1 13.8 1.0 CA C:ILE90 4.2 13.0 1.0 N C:ASP91 4.2 10.3 1.0 CL C:CL306 4.3 57.0 1.0 CA C:LEU180 4.4 6.3 1.0 C C:LEU180 4.4 17.6 1.0 CA C:THR179 4.5 10.1 1.0 CB C:LEU180 4.5 5.8 1.0 CB C:THR179 4.5 11.1 1.0 C C:THR179 4.6 10.9 1.0 C C:ILE90 4.8 18.3 1.0 CA C:GLU181 4.8 18.8 1.0 OD1 C:ASP91 4.9 31.9 1.0

Chlorine binding site 2 out of 2 in the Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bovine Enterovirus F3 in Complex with Glutathione and A Cysteinylglycine Dipeptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl306 b:57.0 occ:1.00 O C:HOH437 3.4 25.2 1.0 O C:HOH405 3.7 35.9 1.0 CB C:LEU180 4.2 5.8 1.0 CL C:CL305 4.3 47.6 1.0 CD1 C:LEU180 4.4 7.6 1.0 NE C:ARG85 4.5 17.9 1.0 CD1 C:ILE90 4.6 13.0 1.0 O C:HOH465 4.6 40.4 1.0 CD C:ARG85 4.8 11.8 1.0 CG C:LEU180 4.8 13.2 1.0

H.M.E.Duyvesteyn, J.Ren, T.S.Walter, E.E.Fry, D.I.Stuart. Glutathione Facilitates Enterovirus Assembly By Binding at A Druggable Pocket. Commun Biol V. 3 9 2020.
ISSN: ESSN 2399-3642
PubMed: 31909201
DOI: 10.1038/S42003-019-0722-X