Calcium in PDB 4q4y: Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt)

The structure of Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt), PDB code: 4q4y 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)	49.78 / 1.88
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	304.479, 365.298, 366.488, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / n/a

The structure of Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt) also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	7 atoms

The binding sites of Calcium atom in the Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt) (pdb code 4q4y). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt), PDB code: 4q4y:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt) within 5.0Å range: probe atom residue distance (Å) B Occ 1:Ca5004 b:21.1 occ:1.00 O 1:HOH6239 2.3 38.5 1.0 OG1 1:THR33 2.4 25.4 1.0 O 1:SER58 2.4 23.7 1.0 O 1:ILE61 2.4 21.1 1.0 O 1:SER34 2.4 25.3 1.0 CB 1:THR33 3.4 23.4 1.0 C 1:ILE61 3.5 18.5 1.0 C 1:SER58 3.5 20.5 1.0 C 1:SER34 3.7 20.8 1.0 N 1:GLU62 4.2 19.1 1.0 CA 1:SER58 4.2 21.1 1.0 CA 1:GLU62 4.2 19.1 1.0 C 1:THR33 4.3 22.9 1.0 CG2 1:THR33 4.4 24.3 1.0 N 1:SER34 4.4 22.6 1.0 N 1:ILE61 4.4 20.1 1.0 CA 1:THR33 4.5 22.6 1.0 O 1:THR33 4.5 22.4 1.0 O 1:HOH6015 4.5 39.4 1.0 CA 1:ILE61 4.6 19.8 1.0 CA 1:SER34 4.6 24.5 1.0 N 1:ASP59 4.6 21.4 1.0 O 1:HOH6240 4.6 49.6 1.0 N 1:GLY35 4.7 22.4 1.0 CA 1:GLY35 4.8 23.6 1.0 O 1:HOH6052 4.8 25.0 1.0 CB 1:SER58 4.8 21.7 1.0 C 1:ASP59 4.8 21.6 1.0 N 1:THR63 4.9 19.1 1.0 N 1:VAL60 4.9 20.1 1.0 CA 1:ASP59 5.0 22.3 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt) within 5.0Å range: probe atom residue distance (Å) B Occ 1:Ca5005 b:25.6 occ:1.00 O 1:HOH6151 2.3 40.7 1.0 O 1:HOH6150 2.3 33.6 1.0 O 4:ALA65 2.4 29.2 1.0 O 4:LYS63 2.4 27.9 1.0 O 1:LEU44 2.4 24.1 1.0 O 1:VAL41 3.3 21.5 1.0 O 3:HOH796 3.3 28.4 1.0 C 4:ALA65 3.6 25.8 1.0 C 4:LYS63 3.6 26.8 1.0 C 1:LEU44 3.6 20.8 1.0 O 1:HOH6119 3.8 37.6 1.0 O 4:HOH225 4.0 35.0 1.0 N 4:ALA67 4.2 26.6 1.0 C 1:VAL41 4.2 21.7 1.0 CA 4:PRO66 4.3 30.0 1.0 CA 1:PRO42 4.3 20.6 1.0 N 4:PRO66 4.4 29.8 1.0 N 4:ALA65 4.4 26.4 1.0 CA 4:LYS63 4.4 29.6 1.0 O 4:ILE62 4.4 24.6 1.0 CA 1:THR45 4.4 21.8 1.0 N 1:THR45 4.5 22.1 1.0 C 4:THR64 4.5 28.6 1.0 C 4:PRO66 4.5 27.9 1.0 N 4:THR64 4.6 25.7 1.0 CA 4:ALA65 4.6 28.2 1.0 O 1:PRO42 4.6 22.9 1.0 C 1:PRO42 4.6 21.8 1.0 CA 1:LEU44 4.6 22.5 1.0 N 1:PRO42 4.7 21.1 1.0 N 1:LEU44 4.7 21.2 1.0 CB 1:THR45 4.7 23.3 1.0 CA 4:THR64 4.8 28.2 1.0 O 4:THR64 4.9 31.1 1.0 O 4:HOH233 5.0 48.9 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt) within 5.0Å range: probe atom residue distance (Å) B Occ 1:Ca5006 b:34.5 occ:1.00 OG1 1:THR26 2.4 29.2 1.0 O 1:ALA27 2.4 22.5 1.0 OG 1:SER29 2.4 26.7 1.0 O 1:ASN68 2.4 23.2 1.0 O 1:HOH6088 3.5 30.8 1.0 CB 1:THR26 3.5 28.1 1.0 O 1:HOH6134 3.5 44.9 1.0 C 1:ASN68 3.5 21.3 1.0 N 1:SER29 3.5 20.8 1.0 C 1:ALA27 3.7 21.9 1.0 CB 1:SER29 3.7 20.9 1.0 CB 1:ASN68 3.7 21.5 1.0 CA 1:ASN68 4.0 21.1 1.0 C 1:GLN28 4.1 22.3 1.0 CA 1:SER29 4.1 22.0 1.0 N 1:ASN68 4.1 20.8 1.0 CA 1:GLN28 4.3 23.2 1.0 C 1:THR26 4.4 26.9 1.0 CG2 1:THR26 4.4 28.7 1.0 N 1:GLN28 4.4 22.4 1.0 CA 1:THR26 4.5 27.3 1.0 O 1:THR26 4.6 24.5 1.0 N 1:ALA27 4.6 23.4 1.0 CG 1:ASN68 4.6 22.3 1.0 N 1:TYR69 4.7 21.1 1.0 O 1:GLN28 4.8 20.7 1.0 CA 1:ALA27 4.8 22.7 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt) within 5.0Å range: probe atom residue distance (Å) B Occ 2:Ca401 b:26.8 occ:0.50 O 2:HOH723 2.3 54.9 1.0 O 2:GLU55 2.3 23.1 1.0 O 2:HOH614 2.3 30.4 1.0 C 2:GLU55 3.4 22.4 1.0 CB 2:GLU55 4.2 24.6 1.0 CA 2:GLU55 4.2 22.4 1.0 N 2:GLU55 4.2 20.9 1.0 N 2:PRO56 4.4 22.1 1.0 O 2:HOH619 4.5 56.9 1.0 CA 2:PRO56 4.5 22.7 1.0 C 2:PRO56 4.8 21.8 1.0 CB 2:ASP57 4.9 23.8 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Coxsackievirus A24V Soaked with Disialyllacto-N- Tetraose (Dslnt) within 5.0Å range: probe atom residue distance (Å) B Occ 3:Ca601 b:27.3 occ:0.20 OG1 3:THR4 3.6 21.8 1.0 CD2 3:LEU6 4.3 22.1 1.0 CB 3:THR4 4.3 20.9 1.0 CG2 3:THR4 4.5 22.3 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