Chlorine in PDB 6t40: Bovine Enterovirus F3 in Complex with A Cysteinylglycine Dipeptide

The structure of Bovine Enterovirus F3 in Complex with A Cysteinylglycine Dipeptide, PDB code: 6t40 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)	19.92 / 1.67
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	342.700, 348.300, 351.600, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 19.1

The structure of Bovine Enterovirus F3 in Complex with 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 A Cysteinylglycine Dipeptide (pdb code 6t40). 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 A Cysteinylglycine Dipeptide, PDB code: 6t40:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Bovine Enterovirus F3 in Complex with 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 A Cysteinylglycine Dipeptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:48.0 occ:1.00 O C:HOH512 2.5 20.2 1.0 N C:ASP91 3.0 14.9 1.0 CA C:ILE90 3.6 14.9 1.0 CG C:ASP91 3.7 31.2 1.0 CB C:ILE90 3.7 15.9 1.0 OD1 C:ASP91 3.7 21.3 1.0 CB C:ASP91 3.8 17.0 1.0 C C:ILE90 3.8 16.1 1.0 O C:HOH443 3.8 24.3 1.0 O C:HOH592 3.9 27.7 1.0 CA C:ASP91 4.0 16.1 1.0 OD2 C:ASP91 4.2 30.0 1.0 CG2 C:ILE90 4.2 15.9 1.0 OG1 C:THR179 4.3 17.1 1.0 O C:ASP91 4.9 18.5 1.0 N C:ILE90 5.0 14.6 1.0 C C:ASP91 5.0 18.0 1.0 N C:LEU180 5.0 14.5 1.0 CG1 C:ILE90 5.0 16.4 1.0 O C:GLY89 5.0 18.2 1.0

Chlorine binding site 2 out of 2 in the Bovine Enterovirus F3 in Complex with 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 A Cysteinylglycine Dipeptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl304 b:80.2 occ:1.00 O C:HOH592 2.6 27.7 1.0 O C:HOH471 3.4 39.3 1.0 NE C:ARG85 4.1 18.4 1.0 O A:HOH465 4.2 32.2 1.0 O C:HOH443 4.3 24.3 1.0 O C:HOH554 4.4 47.0 1.0 NH1 C:ARG85 4.5 21.4 1.0 CZ C:ARG85 4.5 23.6 1.0 NH2 C:ARG188 4.6 50.1 1.0 CD C:ARG85 4.8 16.9 1.0 CB C:LEU180 4.9 14.3 1.0 O C:HOH512 4.9 20.2 1.0 CZ C:ARG188 4.9 70.5 1.0 O2 C:SO4305 4.9 0.6 1.0 CD1 C:LEU180 4.9 16.8 1.0

H.M.E.Duyvesteyn, J.Ren, T.S.Walter, E.E.Fry, D.I.Stuart. Bovine Enterovirus F3 in Complex with A Cysteinylglycine Dipeptide To Be Published.