Chlorine in PDB 4q4w: High-Resolution Crystal Structure of Coxsackievirus A24V

The structure of High-Resolution Crystal Structure of Coxsackievirus A24V, PDB code: 4q4w was solved by G.Zocher, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.89 / 1.40
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	306.556, 366.509, 368.101, 90.00, 90.00, 90.00
R / Rfree (%)	15 / n/a

The structure of High-Resolution Crystal Structure of Coxsackievirus A24V also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the High-Resolution Crystal Structure of Coxsackievirus A24V (pdb code 4q4w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the High-Resolution Crystal Structure of Coxsackievirus A24V, PDB code: 4q4w:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the High-Resolution Crystal Structure of Coxsackievirus A24V


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High-Resolution Crystal Structure of Coxsackievirus A24V within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl906 b:18.6 occ:1.00 O 1:HOH6193 3.2 16.1 1.0 N 1:GLU249 3.2 16.3 1.0 CA 1:ASN248 3.7 14.8 1.0 C 1:ASN248 3.9 15.7 1.0 CB 1:GLU249 4.0 18.7 0.5 CB 1:GLU249 4.0 18.4 0.5 CG 1:GLU249 4.0 20.5 0.5 CB 1:ASN248 4.2 15.0 1.0 CA 1:GLU249 4.2 17.3 0.5 CA 1:GLU249 4.2 17.0 0.5 CG 1:GLU249 4.2 19.7 0.5 OE1 1:GLU249 4.5 23.1 0.5 O 1:VAL247 4.7 15.3 1.0 N 1:ASN248 4.8 14.6 1.0 CD 1:GLU249 4.8 21.6 0.5 CG 1:ASN248 4.9 15.3 1.0 ND2 1:ASN248 4.9 15.1 1.0 O 1:GLU249 4.9 16.0 1.0

Chlorine binding site 2 out of 4 in the High-Resolution Crystal Structure of Coxsackievirus A24V


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High-Resolution Crystal Structure of Coxsackievirus A24V within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl907 b:22.0 occ:1.00 O 1:HOH6058 3.2 25.4 1.0 NH2 1:ARG245 3.3 15.7 1.0 CZ 1:ARG245 4.2 15.4 1.0 NH1 1:ARG245 4.3 16.1 1.0 N 1:GLN178 4.3 15.8 1.0 C 1:TRP177 4.3 15.6 1.0 O 1:TRP177 4.4 15.5 1.0 CB 1:TRP177 4.4 15.1 1.0 CA 1:GLN178 4.5 16.7 1.0 O 1:HOH6068 4.9 29.0 1.0 CB 1:GLN178 4.9 19.8 1.0 CA 1:TRP177 5.0 15.3 1.0

Chlorine binding site 3 out of 4 in the High-Resolution Crystal Structure of Coxsackievirus A24V


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of High-Resolution Crystal Structure of Coxsackievirus A24V within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl908 b:23.6 occ:0.50 N 2:THR270 3.2 24.9 1.0 N 1:ASP221 3.5 27.4 1.0 CA 2:ALA269 3.6 21.3 1.0 CB 2:ALA269 3.7 23.2 1.0 OG1 2:THR270 3.8 29.6 1.0 CD 1:LYS220 3.9 34.6 1.0 C 2:ALA269 3.9 23.1 1.0 N 2:GLN271 3.9 33.6 1.0 CA 1:LYS220 3.9 23.6 1.0 CG 2:GLN271 4.0 47.8 1.0 CE 1:LYS220 4.2 38.7 1.0 C 1:LYS220 4.2 24.9 1.0 O 2:GLN271 4.3 41.8 1.0 CA 2:THR270 4.3 28.6 1.0 OD1 1:ASP221 4.3 39.5 1.0 CA 1:ASP221 4.4 31.1 1.0 CG 1:LYS220 4.4 30.4 1.0 C 2:THR270 4.6 31.2 1.0 CB 2:THR270 4.6 29.2 1.0 O 1:LEU219 4.6 19.8 1.0 CB 1:LYS220 4.7 25.9 1.0 CA 2:GLN271 4.8 40.6 1.0 N 1:LYS220 4.8 19.7 1.0 N 2:ALA269 4.9 18.8 1.0 CD 2:GLN271 4.9 53.5 1.0 O 1:HOH6204 4.9 32.4 1.0 C 2:GLN271 4.9 39.9 1.0 CB 2:GLN271 5.0 44.0 1.0

Chlorine binding site 4 out of 4 in the High-Resolution Crystal Structure of Coxsackievirus A24V


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of High-Resolution Crystal Structure of Coxsackievirus A24V within 5.0Å range: probe atom residue distance (Å) B Occ 2:Cl403 b:30.7 occ:1.00 OD2 2:ASP88 2.8 20.2 0.5 O 2:HOH516 3.0 16.6 1.0 N 2:GLU152 3.0 15.2 1.0 O 2:HOH589 3.1 32.6 1.0 CA 2:GLY151 3.5 15.7 1.0 O 2:HOH517 3.5 20.2 1.0 CG 2:ASP88 3.7 18.2 0.5 C 2:GLY151 3.8 15.3 1.0 CG 2:GLU152 3.8 18.2 1.0 CB 2:ASP88 3.8 19.7 0.5 CB 2:GLU152 3.9 17.2 1.0 O 2:HOH653 3.9 27.1 1.0 CB 2:ASP88 3.9 17.4 0.5 CA 2:GLU152 4.0 15.8 1.0 CE 2:LYS87 4.1 15.8 1.0 CG 2:LYS87 4.4 15.1 1.0 O 2:ALA85 4.5 14.7 1.0 OD2 2:ASP88 4.6 27.4 0.5 N 2:ASP88 4.6 15.9 1.0 OE1 2:GLU152 4.6 21.5 1.0 CD 2:GLU152 4.7 20.2 1.0 CG 2:ASP88 4.7 22.7 0.5 O 2:PRO150 4.7 17.4 1.0 OD1 2:ASP88 4.8 19.1 0.5 N 2:GLY151 4.8 15.3 1.0 O 2:ASP84 4.8 14.3 1.0 CD 2:LYS87 4.8 15.4 1.0 CA 2:ASP88 4.9 17.4 0.5 CA 2:ASP88 4.9 16.6 0.5 O 2:HOH573 4.9 22.5 1.0 O 2:GLY151 5.0 15.2 1.0

G.Zocher, N.Mistry, M.Frank, I.Hahnlein-Schick, J.O.Ekstrom, N.Arnberg, T.Stehle. A Sialic Acid Binding Site in A Human Picornavirus. Plos Pathog. V. 10 04401 2014.
ISSN: ISSN 1553-7366
PubMed: 25329320
DOI: 10.1371/JOURNAL.PPAT.1004401