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

Protein crystallography data

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

Other elements in 4q4x:

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

Chlorine Binding Sites:

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 4q4x

Go back to Chlorine Binding Sites List in 4q4x
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 4q4x

Go back to Chlorine Binding Sites List in 4q4x
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 4q4x

Go back to Chlorine Binding Sites List in 4q4x
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 4q4x

Go back to Chlorine Binding Sites List in 4q4x
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 4q4x

Go back to Chlorine Binding Sites List in 4q4x
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

Reference:

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
Page generated: Sat Dec 12 11:04:43 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy