Calcium in PDB 4aed: Crystal Structure of Human Enterovirus 71

The structure of Crystal Structure of Human Enterovirus 71, PDB code: 4aed was solved by P.Plevka, R.Perera, R.J.Kuhn, M.G.Rossmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.0 / 3.80
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	600.200, 610.600, 851.800, 90.00, 90.00, 90.00
R / Rfree (%)	27.92 / n/a

The binding sites of Calcium atom in the Crystal Structure of Human Enterovirus 71 (pdb code 4aed). 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 Human Enterovirus 71, PDB code: 4aed:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of Human Enterovirus 71


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 Human Enterovirus 71 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1255 b:72.0 occ:1.00 OD2 B:ASP156 2.3 98.3 1.0 OD1 B:ASP67 2.6 90.1 1.0 CG B:ASP156 2.9 98.3 1.0 OD1 B:ASP156 3.0 98.3 1.0 CG B:ASP67 3.6 90.1 1.0 O B:THR68 4.1 77.7 1.0 CB B:ASP156 4.2 98.3 1.0 OD2 B:ASP67 4.3 90.1 1.0 N B:THR68 4.4 77.7 1.0 CB B:ASP67 4.5 90.1 1.0 CA B:ASP67 4.6 90.1 1.0 CA B:ASP156 4.6 98.3 1.0 NZ B:LYS69 4.9 66.3 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of Human Enterovirus 71


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 Human Enterovirus 71 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1256 b:85.5 occ:1.00 OD1 B:ASP84 3.0 0.2 1.0 OH B:TYR148 3.2 84.0 1.0 CG B:ASP84 3.9 0.2 1.0 OE1 B:GLN152 3.9 66.2 1.0 CZ B:TYR148 4.1 84.0 1.0 O B:GLN152 4.1 66.2 1.0 OE1 B:GLU88 4.4 1.0 1.0 CE2 B:TYR148 4.5 84.0 1.0 CB B:GLN152 4.5 66.2 1.0 CB B:ASP84 4.5 0.2 1.0 OD2 B:ASP84 4.7 0.2 1.0 CD B:GLU88 4.8 1.0 1.0 OE2 B:GLU88 4.8 1.0 1.0 CD B:GLN152 4.8 66.2 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of Human Enterovirus 71


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 Human Enterovirus 71 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1243 b:97.2 occ:1.00 OD2 B:ASP225 2.7 1.0 1.0 O C:ALA208 3.1 93.8 1.0 OD1 C:ASN210 3.1 87.7 1.0 ND2 C:ASN210 3.4 87.7 1.0 CG C:ASN210 3.6 87.7 1.0 N C:GLY207 3.7 80.9 1.0 CG B:ASP225 3.8 1.0 1.0 N C:ALA208 3.9 93.8 1.0 C C:ALA208 4.1 93.8 1.0 O C:PRO205 4.2 87.2 1.0 OD1 B:ASP225 4.3 1.0 1.0 CA C:GLY207 4.4 80.9 1.0 C C:GLY207 4.5 80.9 1.0 CA C:ALA208 4.6 93.8 1.0 C C:ILE206 4.7 85.7 1.0 CA C:ILE206 4.8 85.7 1.0 N C:ASN210 4.9 87.7 1.0 CB C:ASN210 5.0 87.7 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of Human Enterovirus 71


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 Human Enterovirus 71 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1244 b:83.4 occ:0.33 O C:ILE206 3.1 85.7 1.0 CG1 C:ILE206 3.9 85.7 1.0 CD1 C:ILE206 4.2 85.7 1.0 C C:ILE206 4.4 85.7 1.0 CE2 B:PHE117 4.4 81.9 1.0 CZ B:PHE117 4.8 81.9 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of Human Enterovirus 71


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 Human Enterovirus 71 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1245 b:78.0 occ:0.20 OG1 C:THR4 4.1 68.4 1.0 CG C:PRO6 4.4 52.6 1.0 CB C:THR4 4.6 68.4 1.0 CG2 C:THR4 4.8 68.4 1.0

P.Plevka, R.Perera, J.Cardosa, R.J.Kuhn, M.G.Rossmann. Crystal Structure of Human Enterovirus 71. Science V. 336 1274 2012.
ISSN: ISSN 0036-8075
PubMed: 22383808
DOI: 10.1126/SCIENCE.1218713