Calcium in PDB 4cpy: Structure of the Neuraminidase From the B/Lyon/Chu/15.216/ 2011 Virus in Complex with Oseltamivir

All present enzymatic activity of Structure of the Neuraminidase From the B/Lyon/Chu/15.216/ 2011 Virus in Complex with Oseltamivir:
3.2.1.18;

The structure of Structure of the Neuraminidase From the B/Lyon/Chu/15.216/ 2011 Virus in Complex with Oseltamivir, PDB code: 4cpy was solved by S.G.Vachieri, P.J.Collins, V.Escuret, J.S.Casalegno, N.Cattle, O.Ferraris, M.Sabatier, E.Frobert, V.Caro, J.J.Skehel, S.J.Gamblin, F.Valla, M.Valette, M.Ottmann, J.W.Mccauley, R.S.Daniels, B.Lina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.26 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.094, 160.094, 89.800, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 17.858

The binding sites of Calcium atom in the Structure of the Neuraminidase From the B/Lyon/Chu/15.216/ 2011 Virus in Complex with Oseltamivir (pdb code 4cpy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Neuraminidase From the B/Lyon/Chu/15.216/ 2011 Virus in Complex with Oseltamivir, PDB code: 4cpy:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Neuraminidase From the B/Lyon/Chu/15.216/ 2011 Virus in Complex with Oseltamivir


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Neuraminidase From the B/Lyon/Chu/15.216/ 2011 Virus in Complex with Oseltamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1466 b:13.6 occ:1.00 OD2 A:ASP323 2.3 13.5 1.0 O A:ASP292 2.3 13.2 1.0 O A:GLY345 2.4 13.1 1.0 O A:HOH2249 2.4 12.6 1.0 O A:THR296 2.4 13.2 1.0 O A:GLY343 2.5 15.0 1.0 C A:THR296 3.5 13.5 1.0 CG A:ASP323 3.5 13.2 1.0 C A:GLY345 3.5 13.3 1.0 C A:ASP292 3.6 13.4 1.0 C A:GLY343 3.6 15.3 1.0 O A:HOH2246 4.0 15.2 1.0 CA A:GLY346 4.1 12.7 1.0 N A:ALA297 4.1 14.0 1.0 CA A:ALA297 4.1 13.5 1.0 CA A:GLY343 4.2 15.4 1.0 N A:GLY346 4.2 12.9 1.0 CA A:ASN293 4.3 13.6 1.0 CB A:ASP323 4.3 13.1 1.0 N A:ASN293 4.4 13.3 1.0 OD1 A:ASP323 4.4 12.7 1.0 C A:SER344 4.4 15.2 1.0 N A:GLY345 4.4 14.7 1.0 N A:THR296 4.4 13.9 1.0 C A:ASN293 4.4 13.9 1.0 CA A:THR296 4.6 14.0 1.0 CA A:GLY345 4.6 14.2 1.0 N A:SER344 4.6 15.6 1.0 CA A:ASP292 4.6 13.2 1.0 O A:SER344 4.6 15.6 1.0 O A:LYS342 4.7 15.3 1.0 N A:SER294 4.7 14.2 1.0 CB A:ASP292 4.8 13.5 1.0 CA A:SER344 4.8 15.6 0.5 N A:ASP292 4.8 13.0 1.0 CA A:SER344 4.8 15.6 0.5 O A:PRO325 4.9 12.9 1.0 O A:ASN293 4.9 14.0 1.0 OD1 A:ASP292 5.0 14.0 1.0 CB A:ALA297 5.0 14.0 1.0

Calcium binding site 2 out of 2 in the Structure of the Neuraminidase From the B/Lyon/Chu/15.216/ 2011 Virus in Complex with Oseltamivir


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Neuraminidase From the B/Lyon/Chu/15.216/ 2011 Virus in Complex with Oseltamivir within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1466 b:16.6 occ:1.00 OD2 B:ASP323 2.3 13.0 1.0 O B:HOH2203 2.3 13.6 1.0 O B:ASP292 2.3 14.2 1.0 O B:GLY345 2.4 14.3 1.0 O B:GLY343 2.5 19.1 1.0 O B:THR296 2.5 13.1 1.0 C B:THR296 3.5 14.0 1.0 C B:GLY343 3.5 19.6 1.0 CG B:ASP323 3.5 13.2 1.0 C B:GLY345 3.5 15.2 1.0 C B:ASP292 3.6 13.9 1.0 O B:HOH2197 4.0 12.3 1.0 CA B:GLY346 4.0 13.5 1.0 CA B:GLY343 4.1 20.1 1.0 CA B:ALA297 4.2 13.7 1.0 N B:ALA297 4.2 13.9 1.0 CA B:ASN293 4.2 14.0 1.0 N B:GLY346 4.2 14.1 1.0 CB B:ASP323 4.3 13.4 1.0 N B:ASN293 4.3 13.8 1.0 OD1 B:ASP323 4.4 12.5 1.0 C B:ASN293 4.4 14.6 1.0 N B:THR296 4.4 15.1 1.0 C B:SER344 4.5 19.1 1.0 N B:GLY345 4.5 17.6 1.0 N B:SER344 4.6 19.9 1.0 CA B:THR296 4.6 14.6 1.0 CA B:ASP292 4.6 13.7 1.0 CA B:GLY345 4.6 16.3 1.0 O B:SER344 4.7 20.1 1.0 N B:SER294 4.7 15.1 1.0 CB B:ASP292 4.8 14.2 1.0 O B:LYS342 4.8 19.8 1.0 N B:ASP292 4.8 13.4 1.0 O B:ASN293 4.8 14.6 1.0 CA B:SER344 4.9 20.5 1.0 O B:PRO325 4.9 14.1 1.0 CB B:ALA297 5.0 13.7 1.0

V.Escuret, P.J.Collins, J.Casalegno, S.G.Vachieri, N.Cattle, O.Ferraris, M.Sabatier, E.Frobert, V.Caro, J.J.Skehel, S.Gamblin, F.Valla, M.Valette, M.Ottmann, J.W.Mccauley, R.S.Daniels, B.Lina. A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis. V. 210 1260 2014.
ISSN: ISSN 1537-6613
PubMed: 24795482
DOI: 10.1093/INFDIS/JIU244