Calcium in PDB 3ckz: N1 Neuraminidase H274Y + Zanamivir

All present enzymatic activity of N1 Neuraminidase H274Y + Zanamivir:
3.2.1.18;

The structure of N1 Neuraminidase H274Y + Zanamivir, PDB code: 3ckz was solved by P.Colllins, L.F.Haire, Y.P.Lin, J.Liu, R.J.Russell, P.A.Walker, J.J.Skehel, S.R.Martin, A.J.Hay, S.J.Gamblin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	115.146, 115.146, 64.197, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 22.8

The binding sites of Calcium atom in the N1 Neuraminidase H274Y + Zanamivir (pdb code 3ckz). 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 N1 Neuraminidase H274Y + Zanamivir, PDB code: 3ckz:

Calcium binding site 1 out of 1 in the N1 Neuraminidase H274Y + Zanamivir


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of N1 Neuraminidase H274Y + Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:18.3 occ:1.00 O A:ASP293 2.3 14.8 1.0 O A:GLY297 2.3 15.3 1.0 OD1 A:ASP324 2.4 15.8 1.0 O A:TYR347 2.4 15.3 1.0 O A:HOH547 2.4 17.7 1.0 O A:GLY345A 2.5 18.3 1.0 C A:GLY345A 3.5 18.5 1.0 C A:GLY297 3.5 15.9 1.0 CG A:ASP324 3.5 16.3 1.0 C A:ASP293 3.5 15.1 1.0 C A:TYR347 3.5 15.7 1.0 CA A:GLY348 3.9 14.8 1.0 O A:HOH524 3.9 15.4 1.0 CA A:GLY345A 4.1 18.8 1.0 N A:GLY348 4.2 15.1 1.0 N A:GLY297 4.2 16.0 1.0 O A:ALA346 4.3 17.1 1.0 CB A:ASP324 4.3 16.0 1.0 C A:ALA346 4.3 16.9 1.0 CA A:ASN294 4.3 15.4 1.0 CA A:GLY297 4.3 15.7 1.0 N A:ASN294 4.3 14.9 1.0 OD2 A:ASP324 4.3 15.1 1.0 N A:SER298 4.4 15.6 1.0 N A:ALA346 4.5 17.7 1.0 CA A:ASP293 4.5 14.9 1.0 N A:TYR347 4.5 16.6 1.0 CA A:SER298 4.6 16.2 1.0 C A:ASN294 4.6 15.6 1.0 CB A:ASP293 4.7 14.8 1.0 CA A:TYR347 4.7 16.0 1.0 CA A:ALA346 4.7 17.3 1.0 O A:ASN345 4.7 20.0 1.0 N A:ASP293 4.7 15.2 1.0 O A:PRO326 4.9 15.6 1.0 O A:ASN294 5.0 16.2 1.0

P.J.Collins, L.F.Haire, Y.P.Lin, J.Liu, R.J.Russell, P.A.Walker, J.J.Skehel, S.R.Martin, A.J.Hay, S.J.Gamblin. Crystal Structures of Oseltamivir-Resistant Influenza Virus Neuraminidase Mutants. Nature V. 453 1258 2008.
ISSN: ISSN 0028-0836
PubMed: 18480754
DOI: 10.1038/NATURE06956