Calcium in PDB 4k1i: Induced Opening of Influenza Virus Neuraminidase N2 150-Loop Suggests An Important Role in Inhibitor Binding

The structure of Induced Opening of Influenza Virus Neuraminidase N2 150-Loop Suggests An Important Role in Inhibitor Binding, PDB code: 4k1i was solved by Y.Wu, F.Gao, J.X.Qi, G.F.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	115.429, 139.113, 139.995, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 16.5

The binding sites of Calcium atom in the Induced Opening of Influenza Virus Neuraminidase N2 150-Loop Suggests An Important Role in Inhibitor Binding (pdb code 4k1i). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Induced Opening of Influenza Virus Neuraminidase N2 150-Loop Suggests An Important Role in Inhibitor Binding, PDB code: 4k1i:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Induced Opening of Influenza Virus Neuraminidase N2 150-Loop Suggests An Important Role in Inhibitor Binding


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Induced Opening of Influenza Virus Neuraminidase N2 150-Loop Suggests An Important Role in Inhibitor Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:15.6 occ:1.00 O A:ASP293 2.2 16.1 1.0 OD2 A:ASP324 2.3 16.0 1.0 O A:GLN347 2.3 18.0 1.0 O A:GLY297 2.4 17.3 1.0 O A:GLY345 2.4 20.4 1.0 O A:HOH607 2.4 15.3 1.0 C A:ASP293 3.4 16.0 1.0 C A:GLY345 3.5 21.3 1.0 C A:GLY297 3.5 17.6 1.0 CG A:ASP324 3.5 15.8 1.0 C A:GLN347 3.5 19.3 1.0 CA A:GLY348 4.0 17.0 1.0 O A:HOH610 4.1 14.7 1.0 CA A:ASN294 4.1 17.0 1.0 CA A:GLY345 4.1 21.5 1.0 N A:SER298 4.2 17.3 1.0 CA A:SER298 4.2 17.0 1.0 N A:ASN294 4.2 16.5 1.0 O A:THR346 4.2 21.0 1.0 N A:GLY348 4.2 17.7 1.0 C A:THR346 4.3 21.3 1.0 OD1 A:ASP324 4.3 15.6 1.0 CB A:ASP324 4.3 16.1 1.0 CA A:ASP293 4.5 15.9 1.0 C A:ASN294 4.5 17.9 1.0 N A:THR346 4.5 21.6 1.0 N A:GLN347 4.5 21.1 1.0 N A:GLY297 4.5 18.4 1.0 CA A:GLY297 4.5 18.0 1.0 O A:ARG344 4.5 22.2 1.0 CA A:GLN347 4.7 21.2 1.0 CB A:ASP293 4.7 16.1 1.0 OD1 A:ASP293 4.7 16.2 1.0 N A:ASP293 4.7 15.6 1.0 N A:TRP295 4.8 18.3 1.0 CA A:THR346 4.8 22.0 1.0

Calcium binding site 2 out of 2 in the Induced Opening of Influenza Virus Neuraminidase N2 150-Loop Suggests An Important Role in Inhibitor Binding


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Induced Opening of Influenza Virus Neuraminidase N2 150-Loop Suggests An Important Role in Inhibitor Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:14.8 occ:1.00 O B:ASP293 2.3 16.4 1.0 O B:HOH601 2.3 16.0 1.0 O B:GLN347 2.3 18.4 1.0 OD2 B:ASP324 2.4 15.6 1.0 O B:GLY345 2.4 20.1 1.0 O B:GLY297 2.4 16.2 1.0 C B:GLY345 3.5 20.6 1.0 C B:ASP293 3.5 16.4 1.0 CG B:ASP324 3.5 15.4 1.0 C B:GLY297 3.5 16.4 1.0 C B:GLN347 3.5 19.0 1.0 O B:HOH613 4.0 14.2 1.0 CA B:GLY348 4.0 16.4 1.0 CA B:ASN294 4.1 17.3 1.0 CA B:GLY345 4.1 20.7 1.0 CA B:SER298 4.2 16.1 1.0 N B:SER298 4.2 16.4 1.0 N B:ASN294 4.2 16.9 1.0 N B:GLY348 4.2 17.3 1.0 OD1 B:ASP324 4.3 15.1 1.0 C B:THR346 4.3 20.8 1.0 O B:THR346 4.3 19.8 1.0 CB B:ASP324 4.4 15.4 1.0 N B:GLN347 4.5 20.7 1.0 N B:THR346 4.5 20.9 1.0 C B:ASN294 4.5 17.7 1.0 N B:GLY297 4.5 17.3 1.0 O B:ARG344 4.6 20.9 1.0 CA B:ASP293 4.6 16.3 1.0 CA B:GLY297 4.6 16.9 1.0 CA B:GLN347 4.7 20.7 1.0 CA B:THR346 4.7 21.5 1.0 CB B:ASP293 4.8 16.5 1.0 N B:ASP293 4.8 15.8 1.0 OD1 B:ASP293 4.8 16.9 1.0 N B:TRP295 4.8 17.9 1.0 O B:PRO326 5.0 16.4 1.0

Y.Wu, G.Qin, F.Gao, Y.Liu, C.J.Vavricka, J.Qi, H.Jiang, K.Yu, G.F.Gao. Induced Opening of Influenza Virus Neuraminidase N2 150-Loop Suggests An Important Role in Inhibitor Binding Sci Rep V. 3 1551 2013.
ISSN: ESSN 2045-2322
PubMed: 23531861
DOI: 10.1038/SREP01551