Calcium in PDB 4hzx: Crystal Structure of Influenza A Neuraminidase N3 Complexed with Oseltamivir

The structure of Crystal Structure of Influenza A Neuraminidase N3 Complexed with Oseltamivir, PDB code: 4hzx was solved by Q.Li, 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)	38.65 / 2.20
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	106.224, 106.224, 66.448, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 19.7

The binding sites of Calcium atom in the Crystal Structure of Influenza A Neuraminidase N3 Complexed with Oseltamivir (pdb code 4hzx). 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 Neuraminidase N3 Complexed with Oseltamivir, PDB code: 4hzx:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Influenza A Neuraminidase N3 Complexed with Oseltamivir


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 Neuraminidase N3 Complexed with Oseltamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca506 b:18.8 occ:1.00 O A:HOH603 2.4 11.1 1.0 O A:ASP293 2.5 16.2 1.0 O A:GLY345 2.5 19.4 1.0 O A:PRO347 2.5 15.9 1.0 O A:GLY297 2.7 16.1 1.0 OD2 A:ASP324 2.7 18.5 1.0 C A:GLY345 3.5 20.6 1.0 CG A:ASP324 3.6 20.5 1.0 C A:PRO347 3.6 19.2 1.0 C A:GLY297 3.7 16.1 1.0 C A:ASP293 3.7 16.2 1.0 CA A:GLY348 3.9 13.0 1.0 O A:HOH612 4.1 13.6 1.0 N A:GLY348 4.2 20.9 1.0 CA A:ASN294 4.3 13.1 1.0 CB A:ASP324 4.3 15.4 1.0 N A:GLY346 4.3 23.2 1.0 CA A:SER298 4.4 19.3 1.0 N A:SER298 4.4 15.3 1.0 CA A:GLY345 4.4 18.2 1.0 CA A:GLY346 4.4 16.1 1.0 OD1 A:ASP324 4.4 16.8 1.0 N A:ASN294 4.4 16.2 1.0 C A:ASN294 4.5 17.1 1.0 O A:ASN344 4.5 18.0 1.0 OD1 A:ASP293 4.6 13.8 1.0 N A:GLY297 4.6 13.2 1.0 N A:TRP295 4.6 16.9 1.0 CA A:GLY297 4.7 12.9 1.0 CA A:ASP293 4.7 16.5 1.0 O A:PRO326 4.8 13.3 1.0 CA A:PRO347 4.8 17.2 1.0 CB A:ASP293 4.9 16.6 1.0 N A:ASP293 4.9 12.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Influenza A Neuraminidase N3 Complexed with Oseltamivir


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 Neuraminidase N3 Complexed with Oseltamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca507 b:52.2 occ:0.35 O A:HOH940 2.3 30.2 1.0 O A:HOH817 3.2 64.6 0.2 OD1 A:ASP113 4.1 26.4 1.0 O A:HOH715 4.4 15.3 1.0 O A:HOH742 4.5 24.7 1.0 O A:HOH750 4.5 28.9 1.0

Q.Li, J.Qi, Y.Wu, H.Kiyota, K.Tanaka, Y.Suhara, H.Ohrui, Y.Suzuki, C.J.Vavricka, G.F.Gao. Functional and Structural Analysis of Influenza Virus Neuraminidase N3 Offers Further Insight Into the Mechanisms of Oseltamivir Resistance. J.Virol. V. 87 10016 2013.
ISSN: ISSN 0022-538X
PubMed: 23824808
DOI: 10.1128/JVI.01129-13