Calcium in PDB 1f8b: Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN

All present enzymatic activity of Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN:
3.2.1.18;

The structure of Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN, PDB code: 1f8b was solved by B.J.Smith, P.M.Colman, M.Von Itzstein, B.Danylec, J.N.Varghese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.80
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.030, 181.030, 181.030, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 21.4

The binding sites of Calcium atom in the Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN (pdb code 1f8b). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN, PDB code: 1f8b:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca999 b:24.4 occ:1.00 O A:ASN347 2.6 21.5 1.0 O A:ASP293 2.6 21.7 1.0 O A:GLY297 2.6 22.2 1.0 OD1 A:ASP324 2.8 21.3 1.0 O A:HOH1236 2.8 22.8 1.0 O A:HOH1154 2.8 17.3 1.0 CG A:ASP324 3.5 18.1 1.0 C A:ASP293 3.7 18.9 1.0 C A:ASN347 3.7 20.7 1.0 C A:GLY297 3.7 22.3 1.0 CA A:GLY348 3.9 19.0 1.0 O A:ASN294 4.0 22.2 1.0 CA A:ASN294 4.0 21.2 1.0 O A:HOH1153 4.0 13.1 1.0 O A:HOH1366 4.1 29.6 1.0 CB A:ASP324 4.2 16.8 1.0 C A:ASN294 4.2 23.4 1.0 OD2 A:ASP324 4.3 17.7 1.0 N A:ASN294 4.3 19.3 1.0 N A:GLY348 4.3 18.5 1.0 N A:GLY297 4.5 24.7 1.0 N A:SER298 4.6 18.9 1.0 CA A:GLY297 4.6 23.5 1.0 CA A:SER298 4.7 19.2 1.0 CA A:ASP293 4.8 19.1 1.0 N A:ASP293 4.8 19.2 1.0 O A:ASN344 4.8 29.2 1.0 N A:ASN347 4.8 24.4 1.0 C A:GLN296 4.9 25.6 1.0 CA A:ASN347 4.9 22.8 1.0 CB A:ASP293 5.0 19.0 1.0

Calcium binding site 2 out of 2 in the Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca998 b:11.3 occ:0.25 O A:HOH1449 2.9 40.3 1.0 O A:HOH1200 3.6 22.4 1.0

B.J.Smith, P.M.Colman, M.Von Itzstein, B.Danylec, J.N.Varghese. Analysis of Inhibitor Binding in Influenza Virus Neuraminidase. Protein Sci. V. 10 689 2001.
ISSN: ISSN 0961-8368
PubMed: 11274459
DOI: 10.1110/PS.41801