Calcium in PDB 3san: Crystal Structure of Influenza A Virus Neuraminidase N5 Complexed with Zanamivir

All present enzymatic activity of Crystal Structure of Influenza A Virus Neuraminidase N5 Complexed with Zanamivir:
3.2.1.18;

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

Resolution Low / High (Å)	35.45 / 1.60
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	112.110, 112.110, 66.767, 90.00, 90.00, 90.00
R / Rfree (%)	12 / 15.7

The binding sites of Calcium atom in the Crystal Structure of Influenza A Virus Neuraminidase N5 Complexed with Zanamivir (pdb code 3san). 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 Zanamivir, PDB code: 3san:
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 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 Virus Neuraminidase N5 Complexed with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:9.2 occ:1.00 O A:ASP293 2.4 10.4 1.0 OD2 A:ASP324 2.4 10.0 1.0 O A:TYR347 2.4 9.6 1.0 O A:GLY297 2.4 12.2 1.0 O A:HOH473 2.4 10.0 1.0 O A:HOH4 2.5 10.5 1.0 C A:GLY297 3.5 12.4 1.0 CG A:ASP324 3.5 10.2 1.0 C A:ASP293 3.6 9.2 1.0 C A:TYR347 3.6 8.4 1.0 CA A:GLY348 3.9 7.2 1.0 O A:HOH507 4.0 10.4 1.0 N A:GLY348 4.2 7.8 1.0 CA A:MET298 4.2 10.4 1.0 N A:MET298 4.3 10.1 1.0 O A:HOH81 4.3 11.9 1.0 O A:THR346 4.3 12.2 1.0 CA A:ASN294 4.3 7.9 1.0 CB A:ASP324 4.4 9.1 1.0 OD1 A:ASP324 4.4 10.2 1.0 N A:ASN294 4.4 8.3 1.0 OD1 A:ASP293 4.5 10.9 1.0 CA A:ASP293 4.6 8.7 1.0 CA A:GLY297 4.6 11.8 1.0 N A:GLY297 4.6 11.3 1.0 CB A:ASP293 4.6 9.4 1.0 N A:TYR347 4.7 9.7 1.0 C A:ASN294 4.7 9.1 1.0 N A:TRP295 4.8 9.8 1.0 N A:ASP293 4.8 9.0 1.0 CA A:TYR347 4.8 8.3 1.0 O A:PRO326 4.9 11.5 1.0 CG A:ASP293 5.0 11.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Influenza A Virus Neuraminidase N5 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 Virus Neuraminidase N5 Complexed with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:9.2 occ:1.00 O B:ASP293 2.3 9.8 1.0 OD2 B:ASP324 2.4 11.4 1.0 O B:TYR347 2.4 9.9 1.0 O B:GLY297 2.4 10.8 1.0 O B:HOH3 2.4 11.2 1.0 O B:HOH43 2.5 11.3 1.0 CG B:ASP324 3.5 10.7 1.0 C B:ASP293 3.6 9.0 1.0 C B:GLY297 3.6 10.3 1.0 C B:TYR347 3.6 9.2 1.0 CA B:GLY348 3.9 7.9 1.0 O B:HOH476 4.1 11.0 1.0 N B:GLY348 4.2 8.0 1.0 O B:HOH55 4.3 11.7 1.0 CA B:ASN294 4.3 8.3 1.0 O B:THR346 4.3 11.8 1.0 CA B:MET298 4.3 9.8 1.0 N B:MET298 4.3 9.9 1.0 OD1 B:ASP324 4.4 9.2 1.0 N B:ASN294 4.4 8.8 1.0 CB B:ASP324 4.4 9.4 1.0 OD1 B:ASP293 4.5 9.6 1.0 CA B:ASP293 4.6 8.4 1.0 N B:GLY297 4.6 9.7 1.0 CA B:GLY297 4.6 10.0 1.0 N B:TYR347 4.7 9.4 1.0 CB B:ASP293 4.7 9.5 1.0 C B:ASN294 4.7 9.3 1.0 CA B:TYR347 4.8 9.5 1.0 N B:TRP295 4.8 9.4 1.0 N B:ASP293 4.8 8.5 1.0 O B:PRO326 5.0 10.8 1.0

M.Y.Wang, J.X.Qi, Y.Liu, C.J.Vavricka, Y.Wu, Q.Li, G.F.Gao. Influenza A Virus N5 Neuraminidase Has An Extended 150-Cavity J.Virol. V. 85 8431 2011.
ISSN: ISSN 0022-538X
PubMed: 21653672
DOI: 10.1128/JVI.00638-11