Calcium in PDB 4i00: Crystal Structure of Influenza A Neuraminidase N3-H274Y Complexed with Zanamivir

The structure of Crystal Structure of Influenza A Neuraminidase N3-H274Y Complexed with Zanamivir, PDB code: 4i00 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)	33.63 / 1.60
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	106.334, 106.334, 64.750, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 17.6

The binding sites of Calcium atom in the Crystal Structure of Influenza A Neuraminidase N3-H274Y Complexed with Zanamivir (pdb code 4i00). 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-H274Y Complexed with Zanamivir, PDB code: 4i00:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Influenza A Neuraminidase N3-H274Y Complexed with Zanamivir


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-H274Y Complexed with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca507 b:33.1 occ:1.00 O A:ASP293 2.3 23.1 1.0 OD2 A:ASP324 2.4 24.9 1.0 O A:GLY297 2.4 26.7 1.0 O A:GLY345 2.5 39.1 1.0 O A:HOH639 2.6 27.4 1.0 CG A:ASP324 3.3 22.4 1.0 C A:GLY345 3.4 37.9 1.0 C A:ASP293 3.6 20.9 1.0 C A:GLY297 3.6 26.4 1.0 O A:HOH623 3.8 22.0 1.0 CB A:ASP324 3.8 21.2 1.0 CA A:GLY345 3.9 39.3 1.0 CA A:GLY348 4.0 24.1 1.0 OD1 A:ASP324 4.2 21.6 1.0 CA A:SER298 4.2 24.7 1.0 N A:SER298 4.3 24.2 1.0 O A:ASN344 4.3 33.0 1.0 CA A:ASN294 4.3 23.3 1.0 N A:GLY348 4.4 29.6 1.0 N A:GLY346 4.4 37.7 1.0 N A:ASN294 4.4 22.2 1.0 CA A:ASP293 4.5 20.4 1.0 N A:ASP293 4.6 20.4 1.0 CB A:ASP293 4.6 22.1 1.0 CA A:GLY297 4.6 23.9 1.0 OD1 A:ASP293 4.7 24.7 1.0 N A:GLY297 4.7 24.7 1.0 CA A:GLY346 4.8 37.1 1.0 C A:ASN294 4.8 27.3 1.0 C A:PRO347 4.9 29.7 1.0 N A:TRP295 4.9 26.9 1.0 C A:SER298 4.9 23.0 1.0 O A:PRO326 5.0 27.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Influenza A Neuraminidase N3-H274Y Complexed with Zanamivir


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-H274Y Complexed with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca508 b:36.9 occ:0.41 O A:HOH866 3.0 34.1 0.2 O A:HOH709 3.4 33.4 1.0 O A:HOH869 3.5 34.1 1.0 OD1 A:ASP113 3.6 23.1 1.0 O A:HOH703 4.6 23.9 1.0 CG A:ASP113 4.8 20.2 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