Chlorine in PDB 4q4x: Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL)

The structure of Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL), PDB code: 4q4x 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)	49.95 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	306.398, 366.096, 367.700, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / n/a

The structure of Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL) also contains other interesting chemical elements:

Calcium	(Ca)	5 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL) (pdb code 4q4x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL), PDB code: 4q4x:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL)


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 Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL) within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl5008 b:24.3 occ:1.00 O 1:HOH6197 3.2 21.6 1.0 N 1:GLU249 3.3 22.1 1.0 CA 1:ASN248 3.8 20.9 1.0 CB 1:GLU249 4.0 23.2 0.5 CB 1:GLU249 4.0 24.9 0.5 CG 1:GLU249 4.1 24.0 0.5 C 1:ASN248 4.1 20.5 1.0 CB 1:ASN248 4.2 20.3 1.0 CA 1:GLU249 4.2 22.1 0.5 CA 1:GLU249 4.2 22.9 0.5 CG 1:GLU249 4.4 27.3 0.5 OE1 1:GLU249 4.5 25.5 0.5 O 1:VAL247 4.7 21.3 1.0 CD 1:GLU249 4.8 24.3 0.5 N 1:ASN248 4.9 20.1 1.0 ND2 1:ASN248 4.9 20.3 1.0 CG 1:ASN248 4.9 21.0 1.0 O 1:GLU249 4.9 21.4 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL) within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl5009 b:27.5 occ:1.00 O 1:HOH6058 3.1 30.5 1.0 NH2 1:ARG245 3.3 21.7 1.0 CZ 1:ARG245 4.2 21.6 1.0 NH1 1:ARG245 4.3 21.9 1.0 N 1:GLN178 4.3 21.4 1.0 C 1:TRP177 4.3 21.1 1.0 CB 1:TRP177 4.4 21.0 1.0 O 1:TRP177 4.4 20.9 1.0 CA 1:GLN178 4.5 21.9 1.0 O6 1:HEZ5003 4.8 54.1 1.0 O 1:HOH6069 4.9 34.7 1.0 C5 1:HEZ5003 4.9 58.8 1.0 CB 1:GLN178 4.9 25.6 1.0 C6 1:HEZ5003 4.9 54.7 1.0 CA 1:TRP177 5.0 21.0 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL) within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl5010 b:50.6 occ:1.00 N 1:GLU300 3.2 25.2 1.0 NZ 3:LYS92 3.3 45.6 1.0 CA 1:VAL299 3.6 25.6 1.0 CG2 1:THR304 3.6 31.1 1.0 O 1:HOH6061 3.7 35.6 1.0 CB 1:VAL299 3.9 27.1 1.0 C 1:VAL299 3.9 24.4 1.0 CB 1:GLU300 4.0 34.4 1.0 CE 3:LYS92 4.1 41.8 1.0 CG1 1:VAL299 4.2 31.5 1.0 CA 1:GLU300 4.2 29.1 1.0 CB 1:THR304 4.4 29.9 1.0 OG1 1:THR304 4.4 30.6 1.0 CD 3:LYS92 4.5 38.2 1.0 O 1:ALA298 4.5 27.3 1.0 O 1:HOH6220 4.7 38.6 1.0 N 1:VAL299 4.8 24.2 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL) within 5.0Å range: probe atom residue distance (Å) B Occ 2:Cl402 b:36.5 occ:1.00 OD2 2:ASP88 2.8 26.6 0.5 O 2:HOH516 3.0 21.6 1.0 N 2:GLU152 3.0 20.7 1.0 O 2:HOH590 3.1 38.5 1.0 O 2:HOH517 3.5 25.6 1.0 CA 2:GLY151 3.5 21.2 1.0 CG 2:ASP88 3.7 24.2 0.5 C 2:GLY151 3.8 20.7 1.0 CG 2:GLU152 3.8 23.9 1.0 CB 2:GLU152 3.9 23.1 1.0 CB 2:ASP88 3.9 26.6 0.5 CB 2:ASP88 3.9 23.0 0.5 O 2:HOH654 3.9 34.8 1.0 CA 2:GLU152 4.1 21.4 1.0 CE 2:LYS87 4.1 21.4 1.0 CG 2:LYS87 4.4 20.3 1.0 O 2:ALA85 4.5 21.0 1.0 N 2:ASP88 4.6 21.1 1.0 OE1 2:GLU152 4.7 26.9 1.0 O 2:PRO150 4.7 22.8 1.0 CD 2:GLU152 4.7 26.9 1.0 N 2:GLY151 4.8 20.7 1.0 OD1 2:ASP88 4.8 23.8 0.5 CD 2:LYS87 4.8 20.7 1.0 O 2:ASP84 4.8 20.1 1.0 O 2:HOH574 4.9 25.9 1.0 OD2 2:ASP88 4.9 39.1 0.5 CA 2:ASP88 4.9 23.3 0.5 CA 2:ASP88 4.9 22.2 0.5 CG 2:ASP88 4.9 30.2 0.5

Chlorine binding site 5 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL) within 5.0Å range: probe atom residue distance (Å) B Occ 3:Cl602 b:39.0 occ:1.00 O 3:HOH898 3.1 48.1 1.0 O 3:HOH868 3.1 30.2 1.0 O 3:HOH755 3.3 29.2 1.0 N 3:GLY60 3.3 25.8 1.0 CA 3:THR59 3.8 26.7 1.0 C 3:THR59 4.0 25.6 1.0 CB 3:ALA62 4.1 23.2 1.0 CG2 3:THR59 4.2 32.6 1.0 CB 1:ALA298 4.2 26.1 1.0 CA 3:GLY60 4.3 27.1 1.0 O 3:ALA62 4.4 22.5 1.0 O 3:VAL58 4.4 22.4 1.0 CB 3:THR59 4.5 29.5 1.0 O 3:HOH899 4.6 50.0 1.0 O 3:HOH902 4.6 38.8 1.0 N 3:ALA62 4.7 22.4 1.0 N 3:THR59 4.8 25.1 1.0 N 3:LYS61 4.8 24.2 1.0 CA 3:ALA62 4.8 22.2 1.0 C 3:GLY60 4.8 27.7 1.0 OG1 3:THR59 4.9 31.9 1.0 O 3:HOH901 4.9 48.7 1.0 O 1:HOH6077 4.9 35.2 1.0 C 3:ALA62 5.0 22.8 1.0 C 3:VAL58 5.0 23.7 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