Calcium in PDB 1f8c: Native Influenza Neuraminidase in Complex with 4-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid

All present enzymatic activity of Native Influenza Neuraminidase in Complex with 4-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid:
3.2.1.18;

The structure of Native Influenza Neuraminidase in Complex with 4-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid, PDB code: 1f8c 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)	10.00 / 1.70
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.980, 180.980, 180.980, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 21.6

The binding sites of Calcium atom in the Native Influenza Neuraminidase in Complex with 4-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid (pdb code 1f8c). 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 Neuraminidase in Complex with 4-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid, PDB code: 1f8c:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Native Influenza Neuraminidase in Complex with 4-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Native Influenza Neuraminidase in Complex with 4-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca999 b:16.4 occ:1.00 O A:GLY297 2.5 17.6 1.0 O A:ASP293 2.6 14.7 1.0 O A:ASN347 2.6 16.3 1.0 OD1 A:ASP324 2.7 15.1 1.0 O A:HOH1236 2.8 15.0 1.0 O A:HOH1154 2.9 13.5 1.0 CG A:ASP324 3.5 13.8 1.0 C A:GLY297 3.6 17.6 1.0 C A:ASP293 3.6 12.6 1.0 C A:ASN347 3.8 15.7 1.0 O A:HOH1367 3.9 23.8 1.0 CA A:GLY348 4.0 14.2 1.0 CA A:ASN294 4.0 14.0 1.0 O A:ASN294 4.0 14.6 1.0 O A:HOH1153 4.1 11.8 1.0 CB A:ASP324 4.2 11.6 1.0 C A:ASN294 4.2 15.4 1.0 OD2 A:ASP324 4.3 13.0 1.0 N A:ASN294 4.3 11.7 1.0 N A:GLY348 4.4 13.9 1.0 N A:GLY297 4.4 18.8 1.0 CA A:GLY297 4.5 17.6 1.0 N A:SER298 4.6 15.2 1.0 CA A:SER298 4.7 16.1 1.0 CA A:ASP293 4.7 13.5 1.0 N A:ASP293 4.8 14.0 1.0 O A:ASN344 4.8 20.4 1.0 C A:GLN296 4.9 18.4 1.0 N A:ASN347 4.9 16.3 1.0 CA A:ASN347 5.0 16.9 1.0 CB A:ASP293 5.0 13.6 1.0

Calcium binding site 2 out of 2 in the Native Influenza Neuraminidase in Complex with 4-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Native Influenza Neuraminidase in Complex with 4-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca998 b:3.3 occ:0.25 O A:HOH1453 3.0 20.7 1.0 O A:HOH1200 3.6 17.0 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