Calcium in PDB 4qn4: Crystal Structure of Neuraminidase N6

The structure of Crystal Structure of Neuraminidase N6, PDB code: 4qn4 was solved by X.Sun, Q.Li, Y.Wu, Y.Liu, J.Qi, C.J.Vavricka, G.F.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.69 / 1.80
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	138.139, 138.139, 150.016, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 15.6

The binding sites of Calcium atom in the Crystal Structure of Neuraminidase N6 (pdb code 4qn4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Neuraminidase N6, PDB code: 4qn4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Neuraminidase N6


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Neuraminidase N6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:21.5 occ:1.00 O A:ASP215 2.5 12.9 1.0 OD2 A:ASP246 2.5 12.8 1.0 O A:HOH788 2.5 22.5 1.0 O A:GLY219 2.6 12.5 1.0 O A:PRO269 2.6 10.8 1.0 O A:HOH892 2.7 29.2 1.0 CG A:ASP246 3.5 11.8 1.0 C A:ASP215 3.6 10.4 1.0 C A:GLY219 3.6 14.8 1.0 C A:PRO269 3.7 11.0 1.0 O A:HOH671 3.9 6.8 1.0 CA A:GLY270 4.0 8.7 1.0 CB A:ASP246 4.1 8.1 1.0 CA A:ASN216 4.3 9.8 1.0 OD1 A:ASP246 4.3 6.5 1.0 N A:GLY270 4.3 9.4 1.0 N A:ALA220 4.4 8.8 1.0 CA A:ALA220 4.4 9.3 1.0 N A:ASN216 4.4 10.7 1.0 N A:GLY219 4.5 13.7 1.0 O A:HOH1018 4.6 35.0 1.0 CA A:ASP215 4.6 7.2 1.0 CA A:GLY219 4.6 12.2 1.0 N A:ASP215 4.7 7.5 1.0 C A:ASN216 4.7 11.3 1.0 CB A:ASP215 4.7 9.8 1.0 CA A:PRO269 4.8 14.3 1.0 C A:LYS218 4.9 16.2 1.0 O A:LYS218 5.0 18.0 1.0 O A:SER248 5.0 11.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Neuraminidase N6


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Neuraminidase N6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:25.2 occ:1.00 O B:ASP215 2.4 15.1 1.0 O B:HOH801 2.5 25.1 1.0 O B:GLY219 2.5 14.7 1.0 O B:PRO269 2.6 14.4 1.0 OD2 B:ASP246 2.6 14.1 1.0 O B:HOH779 2.7 37.3 1.0 CG B:ASP246 3.5 13.7 1.0 C B:GLY219 3.6 18.6 1.0 C B:ASP215 3.6 15.3 1.0 C B:PRO269 3.7 14.9 1.0 O B:HOH653 3.8 9.6 1.0 CA B:GLY270 4.1 9.4 1.0 CB B:ASP246 4.2 8.9 1.0 CA B:ASN216 4.3 14.4 1.0 N B:ALA220 4.3 14.5 1.0 O B:HOH987 4.4 37.4 1.0 N B:GLY270 4.4 10.5 1.0 CA B:ALA220 4.4 15.3 1.0 OD1 B:ASP246 4.4 9.4 1.0 N B:ASN216 4.4 11.1 1.0 N B:GLY219 4.5 14.6 1.0 CA B:GLY219 4.5 13.3 1.0 C B:ASN216 4.6 17.7 1.0 CA B:ASP215 4.7 9.2 1.0 N B:ASP215 4.7 9.3 1.0 C B:LYS218 4.8 18.5 1.0 CB B:ASP215 4.8 11.2 1.0 CA B:PRO269 4.8 12.8 1.0 O B:HOH919 4.9 29.9 1.0 O B:LYS218 4.9 20.9 1.0 O B:SER248 4.9 12.2 1.0 O B:ASN216 4.9 16.5 1.0

X.Sun, Q.Li, Y.Wu, M.Wang, Y.Liu, J.Qi, C.J.Vavricka, G.F.Gao. Structure of Influenza Virus N7: the Last Piece of the Neuraminidase "Jigsaw" Puzzle J.Virol. 2014.
ISSN: ESSN 1098-5514
PubMed: 24899180
DOI: 10.1128/JVI.00805-14