Calcium in PDB 6hg5: Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56).

All present enzymatic activity of Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56).:
3.2.1.18;

The structure of Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56)., PDB code: 6hg5 was solved by M.T.Salinger, J.R.Hobbs, J.W.Murray, W.G.Laver, P.Kuhn, E.F.Garman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.47 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	106.209, 75.181, 106.386, 90.00, 90.52, 90.00
R / Rfree (%)	13.3 / 15.8

The binding sites of Calcium atom in the Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56). (pdb code 6hg5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56)., PDB code: 6hg5:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56). within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca513 b:17.7 occ:1.00 O A:ASP294 2.3 10.3 1.0 O A:GLY298 2.4 12.5 1.0 OD2 A:ASP325 2.4 11.5 1.0 O A:HOH672 2.4 19.6 1.0 O A:PRO348 2.5 11.1 1.0 O A:HOH887 2.7 21.4 1.0 CG A:ASP325 3.5 10.4 1.0 C A:GLY298 3.5 12.9 1.0 C A:ASP294 3.5 10.5 1.0 C A:PRO348 3.5 11.2 1.0 O A:HOH798 3.9 10.5 1.0 CA A:GLY349 3.9 9.5 1.0 CB A:ASP325 4.1 10.3 1.0 N A:GLY349 4.2 10.2 1.0 CA A:ASN295 4.2 11.0 1.0 N A:ALA299 4.2 12.3 1.0 N A:ASN295 4.3 10.4 1.0 O A:HOH661 4.3 22.0 1.0 N A:GLY298 4.3 15.0 1.0 OD1 A:ASP325 4.3 10.1 1.0 CA A:ALA299 4.4 11.7 1.0 CA A:GLY298 4.5 14.1 1.0 CA A:ASP294 4.5 10.2 1.0 N A:ASP294 4.6 9.6 1.0 CA A:PRO348 4.6 12.2 1.0 C A:ASN295 4.6 12.2 1.0 CB A:ASP294 4.7 10.9 1.0 C A:LYS297 4.8 17.1 1.0 OD1 A:ASP294 4.9 12.0 1.0 O A:SER327 4.9 12.7 1.0

Calcium binding site 2 out of 4 in the Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56). within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca515 b:16.3 occ:1.00 O B:ASP294 2.3 7.8 1.0 O B:HOH687 2.4 10.9 1.0 OD2 B:ASP325 2.4 8.9 1.0 O B:GLY298 2.4 8.4 1.0 O B:PRO348 2.4 7.7 1.0 O B:HOH848 2.7 14.1 1.0 CG B:ASP325 3.4 7.8 1.0 C B:GLY298 3.5 8.7 1.0 C B:ASP294 3.5 7.6 1.0 C B:PRO348 3.5 7.9 1.0 O B:HOH724 3.8 9.0 1.0 CA B:GLY349 3.9 6.6 1.0 CB B:ASP325 4.0 7.8 1.0 O B:HOH769 4.0 16.7 1.0 N B:ALA299 4.2 8.6 1.0 N B:GLY349 4.2 6.9 1.0 CA B:ALA299 4.3 8.2 1.0 CA B:ASN295 4.3 7.7 1.0 OD1 B:ASP325 4.3 7.5 1.0 N B:ASN295 4.3 7.5 1.0 CA B:ASP294 4.5 7.4 1.0 N B:GLY298 4.5 9.3 1.0 CA B:GLY298 4.5 9.2 1.0 N B:ASP294 4.6 7.1 1.0 CA B:PRO348 4.6 8.7 1.0 CB B:ASP294 4.6 7.8 1.0 C B:ASN295 4.7 8.3 1.0 C B:LYS297 4.7 9.9 1.0 O B:LYS297 4.8 10.3 1.0 O B:HOH1017 4.8 24.4 1.0 O B:SER327 5.0 9.6 1.0

Calcium binding site 3 out of 4 in the Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56). within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca513 b:15.3 occ:1.00 O C:ASP294 2.3 7.9 1.0 O C:HOH652 2.3 17.6 1.0 O C:GLY298 2.3 9.4 1.0 OD2 C:ASP325 2.4 8.3 1.0 O C:PRO348 2.5 9.5 1.0 O C:HOH903 2.5 20.8 1.0 CG C:ASP325 3.4 7.6 1.0 C C:GLY298 3.5 9.8 1.0 C C:ASP294 3.5 7.8 1.0 C C:PRO348 3.6 9.4 1.0 O C:HOH744 3.8 7.7 1.0 CA C:GLY349 4.0 7.5 1.0 CB C:ASP325 4.0 7.5 1.0 O C:HOH679 4.2 37.9 1.0 N C:GLY349 4.2 8.2 1.0 CA C:ASN295 4.2 8.2 1.0 N C:ALA299 4.3 9.0 1.0 OD1 C:ASP325 4.3 7.3 1.0 N C:ASN295 4.3 7.8 1.0 CA C:ALA299 4.4 8.7 1.0 N C:GLY298 4.4 11.7 1.0 CA C:ASP294 4.4 7.7 1.0 CA C:GLY298 4.5 10.5 1.0 N C:ASP294 4.6 7.0 1.0 C C:ASN295 4.6 9.0 1.0 CB C:ASP294 4.7 8.3 1.0 CA C:PRO348 4.7 10.6 1.0 C C:LYS297 4.9 13.2 1.0 O C:SER327 4.9 9.8 1.0 OD1 C:ASP294 4.9 9.8 1.0

Calcium binding site 4 out of 4 in the Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Influenza A Virus N6 Neuraminidase Complex with Oseltamivir (Duck/England/56). within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca513 b:18.2 occ:1.00 O D:ASP294 2.3 9.2 1.0 O D:HOH753 2.3 12.6 1.0 O D:GLY298 2.4 10.3 1.0 O D:PRO348 2.4 9.8 1.0 OD2 D:ASP325 2.4 9.6 1.0 O D:HOH774 2.6 18.3 1.0 CG D:ASP325 3.4 8.9 1.0 C D:GLY298 3.5 10.8 1.0 C D:PRO348 3.5 10.0 1.0 C D:ASP294 3.5 8.9 1.0 O D:HOH660 3.8 7.6 1.0 CA D:GLY349 3.9 8.6 1.0 CB D:ASP325 4.0 8.8 1.0 O D:HOH711 4.1 18.7 1.0 N D:GLY349 4.2 9.1 1.0 N D:ALA299 4.2 10.7 1.0 OD1 D:ASP325 4.3 8.6 1.0 CA D:ASN295 4.3 9.3 1.0 CA D:ALA299 4.3 10.3 1.0 N D:ASN295 4.4 9.0 1.0 CA D:ASP294 4.5 8.7 1.0 N D:GLY298 4.5 11.6 1.0 N D:ASP294 4.5 8.1 1.0 CA D:GLY298 4.6 11.3 1.0 CA D:PRO348 4.6 11.2 1.0 CB D:ASP294 4.6 9.2 1.0 O D:HOH992 4.6 31.9 1.0 C D:LYS297 4.7 12.0 1.0 C D:ASN295 4.7 9.9 1.0 O D:LYS297 4.8 12.5 1.0 OD1 D:ASP294 5.0 9.5 1.0

M.T.Salinger, J.R.Hobbs, J.W.Murray, W.G.Laver, P.Kuhn, E.F.Garman. High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. To Be Published.