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

Protein crystallography data

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

Other elements in 4q4w:

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

Chlorine (Cl) 4 atoms

Calcium Binding Sites:

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

Calcium binding site 1 out of 4 in 4q4w

Go back to Calcium Binding Sites List in 4q4w
Calcium 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 Calcium with other atoms in the Ca binding site number 1 of High-Resolution Crystal Structure of Coxsackievirus A24V within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Ca903

b:27.9
occ:1.00
 OG1 1:THR26 2.6 22.6 1.0
O 1:ALA27 2.7 17.0 1.0
O 1:ASN68 2.9 17.0 1.0
OG 1:SER29 2.9 16.3 1.0
O 1:HOH6089 3.2 28.0 1.0
O 1:HOH6129 3.5 36.7 1.0
CB 1:THR26 3.6 20.6 1.0
N 1:SER29 3.6 16.1 1.0
C 1:ALA27 3.9 17.2 1.0
C 1:ASN68 3.9 16.0 1.0
CB 1:SER29 3.9 16.3 1.0
CB 1:ASN68 4.0 16.3 1.0
C 1:GLN28 4.1 16.9 1.0
CA 1:SER29 4.2 16.1 1.0
CA 1:ASN68 4.3 15.9 1.0
N 1:ASN68 4.3 15.4 1.0
CA 1:GLN28 4.4 17.2 1.0
C 1:THR26 4.4 19.8 1.0
O 1:THR26 4.5 20.5 1.0
CG2 1:THR26 4.6 21.6 1.0
CA 1:THR26 4.6 20.2 1.0
N 1:GLN28 4.6 16.3 1.0
N 1:ALA27 4.7 17.5 1.0
CG 1:ASN68 4.9 16.6 1.0
O 1:HOH6232 4.9 43.9 1.0
O 1:GLN28 4.9 16.3 1.0

Calcium binding site 2 out of 4 in 4q4w

Go back to Calcium Binding Sites List in 4q4w
Calcium 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 Calcium with other atoms in the Ca binding site number 2 of High-Resolution Crystal Structure of Coxsackievirus A24V within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Ca904

b:17.4
occ:1.00
 O 1:HOH6233 2.3 31.3 1.0
O 1:SER58 2.7 16.6 1.0
O 1:SER34 2.7 17.4 1.0
O 1:ILE61 2.8 14.1 1.0
OG1 1:THR33 2.8 16.8 1.0
CB 1:THR33 3.5 16.9 1.0
C 1:ILE61 3.7 14.1 1.0
C 1:SER58 3.7 15.5 1.0
C 1:SER34 3.9 17.3 1.0
CA 1:GLU62 4.3 14.0 1.0
CA 1:SER58 4.3 15.4 1.0
N 1:GLU62 4.3 13.9 1.0
C 1:THR33 4.3 16.7 1.0
CG2 1:THR33 4.4 17.5 1.0
N 1:SER34 4.5 17.0 1.0
N 1:ILE61 4.5 14.2 1.0
O 1:HOH6015 4.6 30.1 1.0
CA 1:THR33 4.6 16.3 1.0
O 1:THR33 4.6 17.0 1.0
O 1:HOH6234 4.6 40.5 1.0
O 1:HOH6054 4.7 19.8 1.0
CA 1:ILE61 4.7 14.2 1.0
N 1:ASP59 4.7 14.9 1.0
CA 1:SER34 4.8 17.9 1.0
C 1:ASP59 4.8 15.7 1.0
N 1:GLY35 4.9 16.8 1.0
CA 1:GLY35 4.9 17.1 1.0
N 1:VAL60 4.9 15.2 1.0
CB 1:SER58 4.9 16.3 1.0
CA 1:ASP59 5.0 15.8 1.0
N 1:THR63 5.0 13.9 1.0

Calcium binding site 3 out of 4 in 4q4w

Go back to Calcium Binding Sites List in 4q4w
Calcium 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 Calcium with other atoms in the Ca binding site number 3 of High-Resolution Crystal Structure of Coxsackievirus A24V within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Ca905

b:23.8
occ:1.00
 O 1:HOH6146 2.3 34.2 1.0
O 1:HOH6145 2.3 30.6 1.0
O 1:HOH6292 2.3 38.2 1.0
O 4:ALA65 2.4 21.8 1.0
O 4:LYS63 2.4 21.8 1.0
O 1:LEU44 2.7 17.7 1.0
O 1:VAL41 3.3 16.6 1.0
C 4:LYS63 3.5 21.9 1.0
C 4:ALA65 3.5 21.4 1.0
C 1:LEU44 3.8 16.8 1.0
O 1:HOH6117 3.9 27.4 1.0
O 4:HOH127 4.0 31.5 1.0
N 4:ALA67 4.1 21.6 1.0
N 4:ALA65 4.3 21.3 1.0
CA 4:PRO66 4.3 22.9 1.0
C 1:VAL41 4.3 16.5 1.0
O 4:ILE62 4.3 21.6 1.0
CA 4:LYS63 4.3 23.0 1.0
N 4:PRO66 4.4 22.5 1.0
C 4:THR64 4.4 23.2 1.0
CA 1:PRO42 4.4 15.7 1.0
C 4:PRO66 4.5 22.3 1.0
CA 1:THR45 4.5 17.0 1.0
N 4:THR64 4.5 21.7 1.0
CA 4:ALA65 4.6 22.0 1.0
N 1:THR45 4.6 16.5 1.0
O 1:PRO42 4.7 17.6 1.0
C 1:PRO42 4.7 16.2 1.0
CA 4:THR64 4.7 22.3 1.0
O 4:THR64 4.8 24.8 1.0
CB 1:THR45 4.8 18.5 1.0
N 1:PRO42 4.8 15.5 1.0
CA 1:LEU44 4.8 16.4 1.0
N 1:LEU44 4.8 15.6 1.0
CA 4:ALA67 5.0 22.2 1.0

Calcium binding site 4 out of 4 in 4q4w

Go back to Calcium Binding Sites List in 4q4w
Calcium 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 Calcium with other atoms in the Ca binding site number 4 of High-Resolution Crystal Structure of Coxsackievirus A24V within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Ca402

b:22.4
occ:0.50
 O 2:HOH613 2.3 25.6 1.0
O 2:GLU55 2.6 17.5 1.0
C 2:GLU55 3.7 16.6 1.0
CB 2:GLU55 4.4 19.2 1.0
N 2:GLU55 4.4 16.1 1.0
CA 2:GLU55 4.4 16.8 1.0
N 2:PRO56 4.7 16.3 1.0
CA 2:PRO56 4.7 16.9 1.0
O 2:HOH618 4.8 45.7 1.0
C 2:PRO56 4.9 16.7 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: Sun Jul 14 12:19:07 2024

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