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

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

The structure of Structure of the Neuraminidase From the B/Brisbane/60/2008 Virus in Complex with Oseltamivir, PDB code: 4cpm 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)	45.204 / 2.75
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	159.501, 159.501, 90.346, 90.00, 90.00, 120.00
R / Rfree (%)	15.91 / 21.68

The binding sites of Calcium atom in the Structure of the Neuraminidase From the B/Brisbane/60/2008 Virus in Complex with Oseltamivir (pdb code 4cpm). 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 Oseltamivir, PDB code: 4cpm:
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 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/Brisbane/60/2008 Virus in Complex with Oseltamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca500 b:78.3 occ:1.00 O A:THR296 2.4 60.8 1.0 O A:GLY343 2.4 60.1 1.0 O A:GLY345 2.5 54.4 1.0 O A:ASP292 2.8 50.7 1.0 OD2 A:ASP323 2.9 61.3 1.0 C A:THR296 3.4 40.0 1.0 C A:GLY343 3.4 63.7 1.0 CG A:ASP323 3.5 57.8 1.0 C A:GLY345 3.6 49.7 1.0 CA A:ALA297 3.8 50.2 1.0 N A:ALA297 3.9 62.9 1.0 CA A:GLY343 4.0 67.5 1.0 C A:ASP292 4.0 46.9 1.0 CB A:ASP323 4.1 51.2 1.0 O A:LYS342 4.2 64.7 1.0 CA A:GLY346 4.2 34.7 1.0 OD1 A:ASP323 4.3 58.7 1.0 O A:PRO325 4.3 48.6 1.0 N A:GLY346 4.3 45.1 1.0 N A:GLY345 4.4 45.9 1.0 C A:SER344 4.4 47.5 1.0 CB A:ALA297 4.5 46.3 1.0 CA A:THR296 4.5 54.7 1.0 N A:SER344 4.5 64.5 1.0 CA A:GLY345 4.5 37.1 1.0 N A:THR296 4.6 41.2 1.0 O A:SER344 4.6 47.1 1.0 CA A:ASN293 4.7 43.4 1.0 C A:ASN293 4.7 49.6 1.0 N A:ASN293 4.8 36.6 1.0 C A:ALA297 4.8 44.5 1.0 CA A:SER344 4.9 57.5 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 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/Brisbane/60/2008 Virus in Complex with Oseltamivir within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca500 b:50.5 occ:1.00 O B:GLY345 2.3 54.2 1.0 O B:ASP292 2.4 38.0 1.0 O B:THR296 2.5 43.7 1.0 O B:HOH2033 2.7 34.4 1.0 OD2 B:ASP323 2.8 45.8 1.0 O B:GLY343 2.8 44.5 1.0 C B:THR296 3.4 45.7 1.0 C B:GLY345 3.5 47.7 1.0 C B:GLY343 3.6 41.4 1.0 C B:ASP292 3.6 37.6 1.0 O B:HOH2030 3.8 34.5 1.0 CG B:ASP323 3.8 46.7 1.0 CA B:GLY343 4.0 42.0 1.0 CA B:ALA297 4.0 45.6 1.0 N B:ALA297 4.1 51.3 1.0 CA B:GLY346 4.1 36.4 1.0 CA B:ASN293 4.3 39.4 1.0 N B:GLY346 4.3 49.0 1.0 C B:SER344 4.4 48.2 1.0 N B:THR296 4.4 54.8 1.0 C B:ASN293 4.4 43.3 1.0 N B:ASN293 4.4 43.1 1.0 CB B:ASP323 4.5 42.1 1.0 N B:GLY345 4.5 44.2 1.0 O B:SER344 4.5 48.3 1.0 N B:SER344 4.5 62.0 1.0 CA B:THR296 4.5 41.6 1.0 N B:SER294 4.5 42.0 1.0 CA B:ASP292 4.6 43.8 1.0 CA B:GLY345 4.6 44.9 1.0 CB B:ASP292 4.7 43.2 1.0 CA B:SER344 4.7 53.6 1.0 OD1 B:ASP323 4.8 47.1 1.0 CB B:ALA297 4.8 40.5 1.0 O B:ASN293 4.8 43.6 1.0 O B:PRO325 4.9 42.9 1.0 N B:ASP292 4.9 45.4 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