Calcium in PDB 1f8d: Native Influenza Neuraminidase in Complex with 9-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid

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

The structure of Native Influenza Neuraminidase in Complex with 9-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid, PDB code: 1f8d 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 (°)	180.740, 180.740, 180.740, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.1

The binding sites of Calcium atom in the Native Influenza Neuraminidase in Complex with 9-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid (pdb code 1f8d). 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 9-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid, PDB code: 1f8d:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Native Influenza Neuraminidase in Complex with 9-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 9-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca999 b:14.9 occ:1.00 O A:GLY297 2.5 17.2 1.0 O A:ASP293 2.6 13.5 1.0 O A:ASN347 2.6 15.5 1.0 OD1 A:ASP324 2.7 14.1 1.0 O A:HOH1216 2.8 16.1 1.0 O A:HOH1498 2.8 16.2 1.0 CG A:ASP324 3.5 13.3 1.0 C A:GLY297 3.6 16.6 1.0 C A:ASP293 3.7 12.5 1.0 C A:ASN347 3.7 14.3 1.0 CA A:GLY348 3.9 12.2 1.0 O A:HOH1348 4.0 23.7 1.0 CA A:ASN294 4.0 13.2 1.0 O A:HOH1487 4.1 11.5 1.0 O A:ASN294 4.1 14.5 1.0 CB A:ASP324 4.2 12.9 1.0 OD2 A:ASP324 4.3 13.1 1.0 C A:ASN294 4.3 15.1 1.0 N A:ASN294 4.3 12.4 1.0 N A:GLY348 4.3 12.5 1.0 N A:GLY297 4.4 17.5 1.0 CA A:GLY297 4.5 16.7 1.0 N A:SER298 4.6 14.9 1.0 CA A:SER298 4.7 14.6 1.0 N A:ASP293 4.8 12.9 1.0 CA A:ASP293 4.8 12.6 1.0 N A:ASN347 4.8 14.8 1.0 CA A:ASN347 4.9 14.6 1.0 O A:ASN344 4.9 18.4 1.0 C A:GLN296 5.0 17.8 1.0

Calcium binding site 2 out of 2 in the Native Influenza Neuraminidase in Complex with 9-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 9-Amino-2-Deoxy-2,3- Dehydro-N-Neuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca998 b:30.8 occ:0.25 O A:HOH1434 3.0 23.5 1.0 O A:HOH1180 3.7 16.5 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