Calcium 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:

Chlorine	(Cl)	5 atoms
Sodium	(Na)	1 atom

The binding sites of Calcium 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 Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of Coxsackievirus A24V Soaked with 6'-Sialyllactose (6SL), PDB code: 4q4x:
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 6'-Sialyllactose (6SL)


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 6'-Sialyllactose (6SL) within 5.0Å range: probe atom residue distance (Å) B Occ 1:Ca5005 b:23.2 occ:1.00 O 1:HOH6238 2.3 40.2 1.0 OG1 1:THR33 2.4 25.3 1.0 O 1:SER58 2.4 24.1 1.0 O 1:ILE61 2.4 22.1 1.0 O 1:SER34 2.4 24.7 1.0 CB 1:THR33 3.4 23.6 1.0 C 1:ILE61 3.5 19.5 1.0 C 1:SER58 3.5 20.2 1.0 C 1:SER34 3.7 22.0 1.0 N 1:GLU62 4.2 19.9 1.0 CA 1:GLU62 4.2 19.9 1.0 CA 1:SER58 4.2 20.8 1.0 C 1:THR33 4.3 22.7 1.0 CG2 1:THR33 4.3 24.1 1.0 N 1:SER34 4.4 22.1 1.0 N 1:ILE61 4.5 20.0 1.0 CA 1:THR33 4.5 21.8 1.0 O 1:THR33 4.5 22.7 1.0 CA 1:ILE61 4.6 19.9 1.0 O 1:HOH6015 4.6 36.5 1.0 CA 1:SER34 4.6 23.1 1.0 N 1:ASP59 4.6 20.7 1.0 O 1:HOH6239 4.7 48.2 1.0 N 1:GLY35 4.7 22.9 1.0 O 1:HOH6053 4.8 25.2 1.0 CA 1:GLY35 4.8 23.1 1.0 CB 1:SER58 4.8 22.0 1.0 C 1:ASP59 4.8 21.2 1.0 N 1:THR63 4.9 19.6 1.0 N 1:VAL60 4.9 20.8 1.0 CA 1:ASP59 5.0 21.2 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca5006 b:27.5 occ:1.00 O 1:HOH6151 2.3 43.4 1.0 O 1:HOH6150 2.3 36.2 1.0 O 4:ALA65 2.4 28.2 1.0 O 4:LYS63 2.4 27.2 1.0 O 1:LEU44 2.4 24.8 1.0 O 3:HOH797 3.2 28.4 1.0 O 1:VAL41 3.3 21.8 1.0 C 4:LYS63 3.6 26.5 1.0 C 4:ALA65 3.6 26.9 1.0 C 1:LEU44 3.6 21.9 1.0 O 1:HOH6119 3.9 33.1 1.0 O 4:HOH126 4.0 36.6 1.0 N 4:ALA67 4.2 26.5 1.0 CA 4:PRO66 4.3 29.6 1.0 C 1:VAL41 4.3 22.2 1.0 N 4:ALA65 4.3 26.6 1.0 CA 4:LYS63 4.4 29.2 1.0 N 4:PRO66 4.4 29.2 1.0 CA 1:PRO42 4.4 21.1 1.0 O 4:ILE62 4.4 26.4 1.0 CA 1:THR45 4.4 22.0 1.0 N 1:THR45 4.5 22.3 1.0 C 4:THR64 4.5 29.1 1.0 C 4:PRO66 4.5 28.0 1.0 N 4:THR64 4.5 26.4 1.0 CA 4:ALA65 4.6 28.0 1.0 O 1:PRO42 4.6 22.9 1.0 CA 1:LEU44 4.6 22.0 1.0 C 1:PRO42 4.7 21.8 1.0 CB 1:THR45 4.7 23.4 1.0 N 1:LEU44 4.7 20.4 1.0 CA 4:THR64 4.8 27.0 1.0 N 1:PRO42 4.8 21.0 1.0 O 4:THR64 4.9 31.4 1.0 O 1:HOH6144 5.0 43.8 1.0 CA 4:ALA67 5.0 27.8 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca5007 b:25.8 occ:1.00 O 1:HOH6154 2.3 30.7 1.0 O 1:HOH6155 2.4 26.0 1.0 O 1:ASN248 2.4 21.7 1.0 O 1:VAL246 2.4 21.8 1.0 CE3 1:TRP172 3.2 23.4 1.0 CZ3 1:TRP172 3.3 24.1 1.0 CD2 1:TRP172 3.5 22.9 1.0 C 1:VAL246 3.5 20.3 1.0 OD1 1:ASN94 3.5 24.4 1.0 C 1:ASN248 3.6 20.5 1.0 CH2 1:TRP172 3.7 25.1 1.0 CE2 1:TRP172 3.8 23.7 1.0 CZ2 1:TRP172 3.9 25.1 1.0 CB 1:VAL246 4.0 21.1 1.0 CG 1:ASN94 4.0 22.7 1.0 CG1 1:VAL246 4.2 21.7 1.0 CG 1:TRP172 4.2 22.4 1.0 CA 1:VAL246 4.2 21.0 1.0 C 1:VAL247 4.3 20.8 1.0 N 1:ASN248 4.4 20.1 1.0 O 1:VAL247 4.4 21.3 1.0 O 1:HOH6113 4.4 32.6 1.0 N 1:VAL247 4.5 20.3 1.0 N 1:GLU249 4.5 22.1 1.0 N 1:VAL246 4.6 20.7 1.0 CA 1:GLU249 4.6 22.9 0.5 CA 1:ASN248 4.6 20.9 1.0 CA 1:GLU249 4.6 22.1 0.5 NE1 1:TRP172 4.6 24.1 1.0 ND2 1:ASN94 4.6 22.2 1.0 CB 1:ASN94 4.7 21.6 1.0 OE1 1:GLN106 4.7 23.0 1.0 CA 1:VAL247 4.7 20.0 1.0 O 1:GLN106 4.8 22.3 1.0 CD1 1:TRP172 4.8 23.1 1.0 CB 1:TRP172 4.9 22.5 1.0 C 1:GLU249 4.9 22.7 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca401 b:28.0 occ:0.50 O 2:GLU55 2.3 23.3 1.0 O 2:HOH614 2.3 30.8 1.0 C 2:GLU55 3.4 21.9 1.0 CB 2:GLU55 4.2 24.4 1.0 CA 2:GLU55 4.2 21.8 1.0 N 2:GLU55 4.2 20.8 1.0 N 2:PRO56 4.4 21.7 1.0 CA 2:PRO56 4.5 22.5 1.0 O 2:HOH619 4.6 52.4 1.0 C 2:PRO56 4.8 22.2 1.0 CB 2:ASP57 4.9 23.1 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca601 b:43.0 occ:0.20 OG1 3:THR4 4.0 22.3 1.0 CD2 3:LEU6 4.0 22.9 1.0 CB 3:THR4 4.4 21.7 1.0 CG2 3:THR4 4.6 22.6 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