Calcium in PDB 3ti8: Crystal Structure of Influenza A Virus Neuraminidase N5 Complexed with Laninamivir

The structure of Crystal Structure of Influenza A Virus Neuraminidase N5 Complexed with Laninamivir, PDB code: 3ti8 was solved by C.J.Vavricka, Q.Li, Y.Wu, J.Qi, M.Wang, Y.Liu, F.Gao, J.Liu, E.Feng, J.He, J.Wang, H.Liu, H.Jiang, G.F.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.80 / 1.60
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	112.563, 112.563, 66.809, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 16.1

The binding sites of Calcium atom in the Crystal Structure of Influenza A Virus Neuraminidase N5 Complexed with Laninamivir (pdb code 3ti8). 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 Influenza A Virus Neuraminidase N5 Complexed with Laninamivir, PDB code: 3ti8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Influenza A Virus Neuraminidase N5 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 Influenza A Virus Neuraminidase N5 Complexed with Laninamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:11.3 occ:1.00 OD2 A:ASP324 2.4 11.7 1.0 O A:ASP293 2.4 10.6 1.0 O A:GLY297 2.4 12.3 1.0 O A:TYR347B 2.5 11.6 1.0 O A:HOH1 2.5 12.4 1.0 O A:HOH8 2.5 10.7 1.0 CG A:ASP324 3.5 12.0 1.0 C A:GLY297 3.6 13.2 1.0 C A:ASP293 3.6 9.9 1.0 C A:TYR347B 3.6 10.2 1.0 CA A:GLY348 3.9 9.5 1.0 O A:HOH526 4.0 12.7 1.0 N A:GLY348 4.2 9.5 1.0 CA A:MET298 4.2 12.4 1.0 N A:MET298 4.3 12.5 1.0 O A:HOH505 4.3 13.2 1.0 O A:THR346 4.3 13.2 1.0 CA A:ASN294 4.3 10.2 1.0 OD1 A:ASP324 4.4 12.0 1.0 CB A:ASP324 4.4 11.0 1.0 N A:ASN294 4.4 9.6 1.0 CA A:ASP293 4.6 9.7 1.0 OD1 A:ASP293 4.6 12.9 1.0 N A:GLY297 4.6 12.3 1.0 CA A:GLY297 4.6 12.8 1.0 CB A:ASP293 4.6 10.9 1.0 N A:TYR347B 4.7 11.7 1.0 C A:ASN294 4.7 11.0 1.0 N A:ASP293 4.8 10.0 1.0 N A:TRP295 4.8 10.2 1.0 CA A:TYR347B 4.8 10.3 1.0 O A:PRO326 4.9 14.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Influenza A Virus Neuraminidase N5 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 Influenza A Virus Neuraminidase N5 Complexed with Laninamivir within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:10.1 occ:1.00 O B:ASP293 2.4 11.5 1.0 OD2 B:ASP324 2.4 11.8 1.0 O B:TYR347B 2.4 10.3 1.0 O B:GLY297 2.4 11.8 1.0 O B:HOH6 2.5 12.5 1.0 O B:HOH52 2.5 10.1 1.0 CG B:ASP324 3.5 10.9 1.0 C B:TYR347B 3.6 9.9 1.0 C B:ASP293 3.6 11.2 1.0 C B:GLY297 3.6 11.7 1.0 CA B:GLY348 3.9 8.0 1.0 O B:HOH78 4.1 11.1 1.0 N B:GLY348 4.2 8.6 1.0 O B:HOH20 4.3 11.2 1.0 CA B:MET298 4.3 10.5 1.0 O B:THR346 4.3 13.2 1.0 CA B:ASN294 4.3 9.8 1.0 N B:MET298 4.3 10.6 1.0 OD1 B:ASP324 4.4 10.8 1.0 CB B:ASP324 4.4 10.1 1.0 N B:ASN294 4.4 10.9 1.0 OD1 B:ASP293 4.5 10.7 1.0 CA B:ASP293 4.6 10.2 1.0 CA B:GLY297 4.6 10.8 1.0 N B:GLY297 4.6 11.1 1.0 CB B:ASP293 4.6 10.8 1.0 N B:TYR347B 4.7 10.3 1.0 C B:ASN294 4.7 9.7 1.0 N B:TRP295 4.8 9.8 1.0 CA B:TYR347B 4.8 9.9 1.0 N B:ASP293 4.8 9.4 1.0 O B:PRO326 4.9 11.5 1.0

C.J.Vavricka, Q.Li, Y.Wu, J.Qi, M.Wang, Y.Liu, F.Gao, J.Liu, E.Feng, J.He, J.Wang, H.Liu, H.Jiang, G.F.Gao. Structural and Functional Analysis of Laninamivir and Its Octanoate Prodrug Reveals Group Specific Mechanisms For Influenza Na Inhibition Plos Pathog. V. 7 02249 2011.
ISSN: ISSN 1553-7366
PubMed: 22028647
DOI: 10.1371/JOURNAL.PPAT.1002249