Calcium in PDB 4qn6: Crystal Structure of Neuraminidase N6 Complexed with Laninamivir

The structure of Crystal Structure of Neuraminidase N6 Complexed with Laninamivir, PDB code: 4qn6 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)	47.48 / 1.95
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	137.919, 137.919, 148.797, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 16.1

The binding sites of Calcium atom in the Crystal Structure of Neuraminidase N6 Complexed with Laninamivir (pdb code 4qn6). 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 Complexed with Laninamivir, PDB code: 4qn6:
Jump to Calcium binding site number: 1; 2;

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


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 Complexed with Laninamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:19.6 occ:1.00 OD2 A:ASP246 2.3 17.6 1.0 O A:ASP215 2.3 18.6 1.0 O A:GLY219 2.3 22.5 1.0 O A:PRO269 2.3 19.7 1.0 O A:HOH615 2.4 21.7 1.0 O A:HOH646 2.5 22.8 1.0 CG A:ASP246 3.4 23.4 1.0 C A:GLY219 3.5 23.4 1.0 C A:PRO269 3.5 21.9 1.0 C A:ASP215 3.5 18.2 1.0 O A:HOH657 3.8 17.9 1.0 CA A:GLY270 4.1 18.1 1.0 CB A:ASP246 4.2 19.9 1.0 CA A:ASN216 4.2 19.1 1.0 N A:GLY270 4.2 17.7 1.0 N A:ALA220 4.3 21.2 1.0 O A:HOH895 4.3 35.1 1.0 OD1 A:ASP246 4.3 17.6 1.0 CA A:ALA220 4.3 21.8 1.0 N A:ASN216 4.3 15.7 1.0 N A:GLY219 4.4 22.4 1.0 CA A:GLY219 4.5 21.7 1.0 CA A:PRO269 4.5 20.5 1.0 C A:ASN216 4.6 20.4 1.0 CA A:ASP215 4.6 17.7 1.0 CB A:ASP215 4.7 17.1 1.0 C A:LYS218 4.7 23.0 1.0 N A:ASP215 4.8 18.4 1.0 O A:LYS218 4.8 25.0 1.0 O A:SER248 4.9 22.3 1.0 O A:ASN216 5.0 19.5 1.0 OD2 A:ASP215 5.0 20.2 1.0 N A:TRP217 5.0 18.5 1.0

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


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 Complexed with Laninamivir within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:17.8 occ:1.00 OD2 B:ASP246 2.3 15.9 1.0 O B:ASP215 2.3 17.5 1.0 O B:PRO269 2.4 15.3 1.0 O B:GLY219 2.4 18.9 1.0 O B:HOH641 2.4 19.3 1.0 O B:HOH649 2.5 20.8 1.0 CG B:ASP246 3.4 18.6 1.0 C B:ASP215 3.5 15.5 1.0 C B:PRO269 3.5 17.3 1.0 C B:GLY219 3.5 21.3 1.0 O B:HOH621 3.9 14.4 1.0 CA B:GLY270 4.1 15.6 1.0 O B:HOH859 4.1 36.4 1.0 CB B:ASP246 4.2 16.3 1.0 CA B:ASN216 4.2 16.0 1.0 OD1 B:ASP246 4.2 15.0 1.0 N B:GLY270 4.3 16.0 1.0 N B:ASN216 4.3 13.8 1.0 N B:ALA220 4.3 17.5 1.0 CA B:ALA220 4.4 20.1 1.0 N B:GLY219 4.5 17.8 1.0 CA B:ASP215 4.5 14.9 1.0 CA B:GLY219 4.5 18.0 1.0 CA B:PRO269 4.5 19.1 1.0 C B:ASN216 4.6 17.8 1.0 CB B:ASP215 4.6 15.7 1.0 N B:ASP215 4.7 15.1 1.0 C B:LYS218 4.8 18.6 1.0 O B:LYS218 4.8 22.9 1.0 O B:HOH955 4.8 44.0 1.0 O B:SER248 4.9 18.2 1.0 OD2 B:ASP215 5.0 17.0 1.0 O B:ASN216 5.0 19.1 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