Calcium in PDB 6hgb: Influenza A Virus N6 Neuraminidase Native Structure (Duck/England/56).

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

The structure of Influenza A Virus N6 Neuraminidase Native Structure (Duck/England/56)., PDB code: 6hgb 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)	30.68 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	106.200, 73.900, 106.400, 90.00, 90.30, 90.00
R / Rfree (%)	13.9 / 16.1

The binding sites of Calcium atom in the Influenza A Virus N6 Neuraminidase Native Structure (Duck/England/56). (pdb code 6hgb). 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 Native Structure (Duck/England/56)., PDB code: 6hgb:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Influenza A Virus N6 Neuraminidase Native Structure (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 Native Structure (Duck/England/56). within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca519 b:15.5 occ:0.70 O A:ASP294 2.3 12.2 1.0 OD2 A:ASP325 2.4 13.7 1.0 O A:GLY298 2.4 14.8 1.0 O A:PRO348 2.4 12.7 1.0 O A:HOH659 2.5 19.3 1.0 O A:HOH806 2.8 25.9 1.0 CG A:ASP325 3.4 14.4 1.0 C A:ASP294 3.5 11.3 1.0 C A:GLY298 3.5 14.2 1.0 C A:PRO348 3.5 13.8 1.0 O A:HOH739 3.8 13.4 1.0 CA A:GLY349 3.9 11.0 1.0 CB A:ASP325 4.0 12.7 1.0 O A:HOH779 4.2 29.2 1.0 N A:GLY349 4.2 12.2 1.0 CA A:ASN295 4.2 12.8 1.0 OD1 A:ASP325 4.2 12.3 1.0 N A:ALA299 4.3 12.7 1.0 N A:ASN295 4.3 12.0 1.0 N A:GLY298 4.4 14.7 1.0 CA A:ALA299 4.4 12.4 1.0 CA A:ASP294 4.5 11.3 1.0 CA A:GLY298 4.5 14.7 1.0 N A:ASP294 4.5 12.0 1.0 CA A:PRO348 4.6 13.6 1.0 C A:ASN295 4.7 13.2 1.0 CB A:ASP294 4.8 11.8 1.0 C A:LYS297 4.9 16.3 1.0 OD1 A:ASP294 4.9 13.6 1.0 O A:HOH958 5.0 35.4 1.0

Calcium binding site 2 out of 4 in the Influenza A Virus N6 Neuraminidase Native Structure (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 Native Structure (Duck/England/56). within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca517 b:7.7 occ:0.50 O B:ASP294 2.2 11.0 1.0 O B:GLY298 2.3 10.1 1.0 O B:HOH809 2.4 13.6 1.0 OD2 B:ASP325 2.4 11.8 1.0 O B:PRO348 2.5 10.7 1.0 O B:HOH775 2.7 18.1 1.0 CG B:ASP325 3.4 10.8 1.0 C B:GLY298 3.5 11.8 1.0 C B:ASP294 3.5 10.0 1.0 C B:PRO348 3.6 10.7 1.0 O B:HOH734 3.8 12.1 1.0 CB B:ASP325 4.0 10.6 1.0 CA B:GLY349 4.0 9.9 1.0 O B:HOH762 4.1 18.4 1.0 N B:ALA299 4.2 11.0 1.0 CA B:ASN295 4.3 10.1 1.0 OD1 B:ASP325 4.3 9.7 1.0 CA B:ALA299 4.3 11.2 1.0 N B:GLY349 4.3 10.1 1.0 N B:ASN295 4.3 10.4 1.0 CA B:ASP294 4.4 9.4 1.0 N B:GLY298 4.5 11.0 1.0 N B:ASP294 4.5 9.5 1.0 CA B:GLY298 4.5 11.4 1.0 CB B:ASP294 4.7 9.4 1.0 CA B:PRO348 4.7 11.0 1.0 C B:ASN295 4.7 11.5 1.0 C B:LYS297 4.7 11.6 1.0 O B:LYS297 4.8 11.2 1.0 O B:HOH955 4.9 31.9 1.0

Calcium binding site 3 out of 4 in the Influenza A Virus N6 Neuraminidase Native Structure (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 Native Structure (Duck/England/56). within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca519 b:19.7 occ:1.00 O C:ASP294 2.2 9.3 1.0 O C:GLY298 2.3 11.4 1.0 O C:HOH752 2.3 16.9 1.0 OD2 C:ASP325 2.5 11.7 1.0 O C:PRO348 2.5 12.0 1.0 O C:HOH783 2.6 12.1 0.5 C C:GLY298 3.4 11.6 1.0 CG C:ASP325 3.4 10.7 1.0 C C:ASP294 3.5 9.4 1.0 C C:PRO348 3.6 12.1 1.0 O C:HOH736 3.8 11.8 1.0 O C:HOH783 3.9 17.8 0.5 CA C:GLY349 4.0 10.0 1.0 CB C:ASP325 4.0 9.7 1.0 CA C:ASN295 4.2 10.0 1.0 N C:ALA299 4.2 10.9 1.0 N C:GLY349 4.3 10.8 1.0 N C:ASN295 4.3 9.8 1.0 O C:HOH606 4.3 31.3 1.0 CA C:ALA299 4.3 11.5 1.0 OD1 C:ASP325 4.3 10.4 1.0 N C:GLY298 4.3 13.1 1.0 CA C:GLY298 4.4 12.1 1.0 CA C:ASP294 4.5 9.1 1.0 N C:ASP294 4.6 9.5 1.0 C C:ASN295 4.6 11.0 1.0 CB C:ASP294 4.7 10.1 1.0 CA C:PRO348 4.8 12.4 1.0 C C:LYS297 4.8 14.6 1.0 OD1 C:ASP294 4.9 11.6 1.0

Calcium binding site 4 out of 4 in the Influenza A Virus N6 Neuraminidase Native Structure (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 Native Structure (Duck/England/56). within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca515 b:9.9 occ:0.50 O D:ASP294 2.3 10.3 1.0 O D:PRO348 2.3 10.3 1.0 O D:GLY298 2.4 11.0 1.0 OD2 D:ASP325 2.4 12.6 1.0 O D:HOH673 2.4 16.5 1.0 O D:HOH781 2.7 18.7 1.0 CG D:ASP325 3.4 11.8 1.0 C D:ASP294 3.5 10.5 1.0 C D:GLY298 3.5 12.5 1.0 C D:PRO348 3.5 11.0 1.0 O D:HOH778 3.8 11.2 1.0 CA D:GLY349 3.9 10.3 1.0 CB D:ASP325 4.0 10.3 1.0 O D:HOH696 4.1 24.4 1.0 N D:GLY349 4.2 10.4 1.0 OD1 D:ASP325 4.3 10.9 1.0 N D:ALA299 4.3 11.5 1.0 CA D:ASN295 4.3 10.6 1.0 CA D:ALA299 4.3 11.9 1.0 N D:ASN295 4.3 10.1 1.0 CA D:ASP294 4.5 10.1 1.0 N D:GLY298 4.5 12.0 1.0 N D:ASP294 4.5 10.6 1.0 CA D:GLY298 4.6 11.2 1.0 CA D:PRO348 4.6 11.8 1.0 CB D:ASP294 4.7 10.8 1.0 C D:ASN295 4.7 10.9 1.0 O D:HOH948 4.7 27.6 0.8 C D:LYS297 4.8 12.1 1.0 O D:LYS297 4.8 12.6 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. (in Preparation) To Be Published.