Calcium in PDB 4d8s: Influenza Na in Complex with Antiviral Compound

All present enzymatic activity of Influenza Na in Complex with Antiviral Compound:
3.2.1.18;

The structure of Influenza Na in Complex with Antiviral Compound, PDB code: 4d8s was solved by P.S.Kerry, R.J.M.R.Russell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.51 / 2.40
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	89.388, 89.388, 94.754, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.6

The binding sites of Calcium atom in the Influenza Na in Complex with Antiviral Compound (pdb code 4d8s). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Influenza Na in Complex with Antiviral Compound, PDB code: 4d8s:

Calcium binding site 1 out of 1 in the Influenza Na in Complex with Antiviral Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza Na in Complex with Antiviral Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:49.4 occ:1.00 O A:TYR347 2.2 44.6 1.0 O A:ASP293 2.2 43.5 1.0 O A:GLY297 2.5 45.7 1.0 O A:HOH620 2.5 40.2 1.0 OD1 A:ASP324 2.6 41.2 1.0 C A:TYR347 3.3 47.8 1.0 C A:ASP293 3.5 46.2 1.0 C A:GLY297 3.6 47.5 1.0 CG A:ASP324 3.7 41.4 1.0 CA A:GLY348 3.7 40.8 1.0 N A:GLY348 3.9 44.7 1.0 CA A:ASN294 4.1 43.8 1.0 N A:ASN294 4.2 45.5 1.0 O A:GLN345 4.3 47.2 1.0 O A:GLY346 4.5 54.7 1.0 CB A:ASP324 4.5 38.1 1.0 N A:THR298 4.5 46.0 1.0 N A:GLY297 4.5 43.7 1.0 OD2 A:ASP324 4.5 38.5 1.0 CA A:ASP293 4.5 42.1 1.0 CA A:THR298 4.5 41.3 1.0 C A:GLY346 4.5 53.0 1.0 CA A:GLY297 4.5 44.4 1.0 CA A:TYR347 4.6 51.7 1.0 C A:ASN294 4.6 46.9 1.0 N A:TYR347 4.6 53.1 1.0 CB A:ASP293 4.6 42.4 1.0 N A:ASP293 4.8 43.6 1.0 N A:TRP295 4.8 47.4 1.0 O A:PRO326 5.0 43.7 1.0

B.Bhatt, R.Bohm, P.S.Kerry, J.C.Dyason, R.J.Russell, R.J.Thomson, M.Von Itzstein. Exploring the Interactions of Unsaturated Glucuronides with Influenza Virus Sialidase. J.Med.Chem. V. 55 8963 2012.
ISSN: ISSN 0022-2623
PubMed: 23017008
DOI: 10.1021/JM301145K