Calcium in PDB 1f8e: Native Influenza Neuraminidase in Complex with 4,9-Diamino-2-Deoxy-2, 3-Dehydro-N-Acetyl-Neuraminic Acid

All present enzymatic activity of Native Influenza Neuraminidase in Complex with 4,9-Diamino-2-Deoxy-2, 3-Dehydro-N-Acetyl-Neuraminic Acid:
3.2.1.18;

The structure of Native Influenza Neuraminidase in Complex with 4,9-Diamino-2-Deoxy-2, 3-Dehydro-N-Acetyl-Neuraminic Acid, PDB code: 1f8e 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 / 1.40
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.130, 181.130, 181.130, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.1

The binding sites of Calcium atom in the Native Influenza Neuraminidase in Complex with 4,9-Diamino-2-Deoxy-2, 3-Dehydro-N-Acetyl-Neuraminic Acid (pdb code 1f8e). 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 4,9-Diamino-2-Deoxy-2, 3-Dehydro-N-Acetyl-Neuraminic Acid, PDB code: 1f8e:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Native Influenza Neuraminidase in Complex with 4,9-Diamino-2-Deoxy-2, 3-Dehydro-N-Acetyl-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 4,9-Diamino-2-Deoxy-2, 3-Dehydro-N-Acetyl-Neuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca999 b:15.9 occ:1.00 O A:GLY297 2.6 17.0 1.0 O A:ASP293 2.6 14.3 1.0 O A:ASN347 2.7 16.1 1.0 OD1 A:ASP324 2.8 14.1 1.0 O A:HOH486 2.8 15.7 1.0 O A:HOH8 2.8 16.6 1.0 CG A:ASP324 3.5 13.4 1.0 C A:GLY297 3.7 16.7 1.0 C A:ASP293 3.7 12.9 1.0 C A:ASN347 3.8 15.3 1.0 CA A:GLY348 4.0 13.0 1.0 O A:HOH617 4.0 25.0 1.0 CA A:ASN294 4.1 14.1 1.0 O A:ASN294 4.1 15.7 1.0 O A:HOH7 4.1 12.3 1.0 CB A:ASP324 4.2 12.2 1.0 C A:ASN294 4.3 15.8 1.0 OD2 A:ASP324 4.3 13.4 1.0 N A:ASN294 4.4 13.1 1.0 N A:GLY348 4.4 13.8 1.0 N A:GLY297 4.5 18.4 1.0 CA A:GLY297 4.5 17.6 1.0 N A:SER298 4.6 15.5 1.0 CA A:SER298 4.6 15.5 1.0 N A:ASP293 4.8 13.7 1.0 CA A:ASP293 4.8 13.5 1.0 N A:ASN347 4.9 14.9 1.0 O A:ASN344 4.9 19.3 1.0 C A:GLN296 5.0 18.4 1.0 CA A:ASN347 5.0 15.8 1.0

Calcium binding site 2 out of 2 in the Native Influenza Neuraminidase in Complex with 4,9-Diamino-2-Deoxy-2, 3-Dehydro-N-Acetyl-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 4,9-Diamino-2-Deoxy-2, 3-Dehydro-N-Acetyl-Neuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca998 b:39.3 occ:0.25 O A:HOH703 3.0 24.3 1.0 O A:HOH54 3.6 18.1 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