Calcium in PDB 4mju: Influenza Neuraminidase in Complex with A Novel Antiviral Compound

All present enzymatic activity of Influenza Neuraminidase in Complex with A Novel Antiviral Compound:
3.2.1.18;

The structure of Influenza Neuraminidase in Complex with A Novel Antiviral Compound, PDB code: 4mju was solved by P.S.Kerry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.20 / 2.35
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	90.756, 90.756, 111.902, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 23.4

The binding sites of Calcium atom in the Influenza Neuraminidase in Complex with A Novel Antiviral Compound (pdb code 4mju). 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 Neuraminidase in Complex with A Novel Antiviral Compound, PDB code: 4mju:

Calcium binding site 1 out of 1 in the Influenza Neuraminidase in Complex with A Novel 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 Neuraminidase in Complex with A Novel Antiviral Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:32.8 occ:1.00 O A:TYR347 2.2 15.2 1.0 OD1 A:ASP324 2.3 14.0 1.0 O A:ASP293 2.3 18.4 1.0 O A:HOH849 2.5 22.2 1.0 O A:GLY297 2.5 16.3 1.0 O A:HOH740 2.9 26.8 1.0 C A:TYR347 3.3 20.0 1.0 CG A:ASP324 3.4 17.3 1.0 CA A:GLY348 3.5 18.1 1.0 C A:ASP293 3.5 17.4 1.0 C A:GLY297 3.7 19.1 1.0 N A:GLY348 3.8 21.9 1.0 CB A:ASP324 4.1 15.9 1.0 O A:GLY346 4.1 22.4 1.0 OD2 A:ASP324 4.2 19.0 1.0 CA A:ASN294 4.3 16.4 1.0 O A:HOH706 4.3 18.0 1.0 N A:ASN294 4.4 14.1 1.0 C A:GLY346 4.5 26.2 1.0 O A:GLN345 4.5 19.5 1.0 CA A:THR298 4.6 17.1 1.0 CA A:TYR347 4.6 26.1 1.0 N A:THR298 4.6 23.3 1.0 CA A:ASP293 4.6 12.7 1.0 N A:GLY297 4.6 17.6 1.0 N A:TYR347 4.7 21.2 1.0 CA A:GLY297 4.7 20.3 1.0 CB A:ASP293 4.8 16.2 1.0 N A:ASP293 4.8 12.2 1.0 OD2 A:ASP293 4.8 15.4 1.0 C A:ASN294 4.8 17.1 1.0 O A:PRO326 4.9 21.9 1.0 C A:GLY348 4.9 20.5 1.0

S.Mohan, P.S.Kerry, N.Bance, M.Niikura, B.M.Pinto. Serendipitous Discovery of A Potent Influenza Virus A Neuraminidase Inhibitor. Angew.Chem.Int.Ed.Engl. V. 53 1076 2014.
ISSN: ISSN 1433-7851
PubMed: 24339250
DOI: 10.1002/ANIE.201308142