Calcium in PDB 4cpn: Structure of the Neuraminidase From the B/Brisbane/60/2008 Virus in Complex with Zanamivir

All present enzymatic activity of Structure of the Neuraminidase From the B/Brisbane/60/2008 Virus in Complex with Zanamivir:
3.2.1.18;

The structure of Structure of the Neuraminidase From the B/Brisbane/60/2008 Virus in Complex with Zanamivir, PDB code: 4cpn 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)	45.176 / 2.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	159.561, 159.561, 90.020, 90.00, 90.00, 120.00
R / Rfree (%)	15.53 / 19.73

The binding sites of Calcium atom in the Structure of the Neuraminidase From the B/Brisbane/60/2008 Virus in Complex with Zanamivir (pdb code 4cpn). 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/Brisbane/60/2008 Virus in Complex with Zanamivir, PDB code: 4cpn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Neuraminidase From the B/Brisbane/60/2008 Virus in Complex with Zanamivir


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/Brisbane/60/2008 Virus in Complex with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca500 b:37.9 occ:1.00 OD2 A:ASP323 2.4 34.7 1.0 O A:ASP292 2.4 34.5 1.0 O A:GLY345 2.4 44.8 1.0 O A:THR296 2.4 28.8 1.0 O A:GLY343 2.5 32.3 1.0 C A:GLY343 3.4 39.0 1.0 C A:THR296 3.4 36.6 1.0 CG A:ASP323 3.5 35.2 1.0 C A:GLY345 3.6 38.5 1.0 C A:ASP292 3.6 38.2 1.0 O A:HOH2078 4.0 31.1 1.0 CA A:GLY343 4.0 30.1 1.0 CA A:ALA297 4.1 30.5 1.0 N A:ALA297 4.1 36.3 1.0 CA A:GLY346 4.1 35.1 1.0 CB A:ASP323 4.3 34.5 1.0 CA A:ASN293 4.3 26.9 1.0 OD1 A:ASP323 4.3 37.4 1.0 N A:GLY346 4.3 33.7 1.0 N A:ASN293 4.4 26.5 1.0 N A:THR296 4.4 33.8 1.0 C A:SER344 4.4 40.3 1.0 C A:ASN293 4.4 36.1 1.0 N A:GLY345 4.5 31.4 1.0 N A:SER344 4.5 47.5 1.0 CA A:THR296 4.5 35.4 1.0 O A:SER344 4.5 37.5 1.0 CA A:GLY345 4.6 28.4 1.0 O A:PRO325 4.6 42.0 1.0 N A:SER294 4.7 32.3 1.0 CA A:ASP292 4.7 31.6 1.0 O A:LYS342 4.7 47.7 1.0 CB A:ASP292 4.8 33.0 1.0 CA A:SER344 4.8 45.2 1.0 O A:ASN293 4.9 39.7 1.0 CB A:ALA297 4.9 32.1 1.0 N A:ASP292 4.9 29.8 1.0

Calcium binding site 2 out of 2 in the Structure of the Neuraminidase From the B/Brisbane/60/2008 Virus in Complex with Zanamivir


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/Brisbane/60/2008 Virus in Complex with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca500 b:38.6 occ:1.00 OD2 B:ASP323 2.2 35.1 1.0 O B:GLY343 2.3 44.1 1.0 O B:GLY345 2.4 40.8 1.0 O B:ASP292 2.4 39.7 1.0 O B:THR296 2.5 33.9 1.0 CG B:ASP323 3.4 40.9 1.0 C B:GLY343 3.4 43.4 1.0 C B:THR296 3.5 33.3 1.0 C B:GLY345 3.5 32.7 1.0 C B:ASP292 3.7 37.2 1.0 O B:HOH2071 3.8 39.7 1.0 CA B:GLY346 4.0 24.9 1.0 CA B:ALA297 4.1 33.2 1.0 CA B:GLY343 4.1 42.2 1.0 N B:ALA297 4.1 31.5 1.0 CB B:ASP323 4.2 41.6 1.0 N B:GLY346 4.2 31.8 1.0 CA B:ASN293 4.3 32.7 1.0 OD1 B:ASP323 4.3 43.0 1.0 C B:SER344 4.4 36.8 1.0 N B:THR296 4.4 32.2 1.0 N B:GLY345 4.4 36.9 1.0 N B:ASN293 4.4 37.1 1.0 N B:SER344 4.5 43.7 1.0 C B:ASN293 4.5 38.0 1.0 O B:SER344 4.5 37.4 1.0 CA B:THR296 4.5 29.6 1.0 CA B:GLY345 4.6 30.6 1.0 O B:LYS342 4.6 55.8 1.0 CA B:ASP292 4.7 31.3 1.0 O B:PRO325 4.7 42.1 1.0 N B:SER294 4.7 43.9 1.0 CA B:SER344 4.8 41.0 1.0 CB B:ASP292 4.8 28.8 1.0 N B:ASP292 4.9 27.8 1.0 CB B:ALA297 4.9 28.0 1.0 O B:ASN293 5.0 41.0 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