Calcium in PDB 1l7f: Crystal Structure of Influenza Virus Neuraminidase in Complex with Bcx-1812

All present enzymatic activity of Crystal Structure of Influenza Virus Neuraminidase in Complex with Bcx-1812:
3.2.1.18;

The structure of Crystal Structure of Influenza Virus Neuraminidase in Complex with Bcx-1812, PDB code: 1l7f was solved by B.J.Smith, J.L.Mckimm-Breshkin, M.Mcdonald, R.T.Fernley, J.N.Varghese, P.M.Colman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.80
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.122, 181.122, 181.122, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 18.7

The binding sites of Calcium atom in the Crystal Structure of Influenza Virus Neuraminidase in Complex with Bcx-1812 (pdb code 1l7f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Influenza Virus Neuraminidase in Complex with Bcx-1812, PDB code: 1l7f:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Influenza Virus Neuraminidase in Complex with Bcx-1812


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Influenza Virus Neuraminidase in Complex with Bcx-1812 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca998 b:20.8 occ:1.00 O A:ASP293 2.7 19.6 1.0 OD1 A:ASP324 2.7 18.1 1.0 O A:ASN347 2.7 17.9 1.0 O A:GLY297 2.8 21.1 1.0 O A:HOH1257 2.8 22.4 1.0 O A:HOH1324 2.8 20.8 1.0 CG A:ASP324 3.6 18.7 1.0 C A:ASP293 3.7 18.3 1.0 C A:GLY297 3.8 20.6 1.0 C A:ASN347 3.8 19.3 1.0 O A:HOH1462 3.9 25.6 1.0 CA A:GLY348 3.9 16.0 1.0 CA A:ASN294 4.1 18.5 1.0 O A:HOH1215 4.1 17.7 1.0 CB A:ASP324 4.2 17.1 1.0 OD2 A:ASP324 4.3 18.4 1.0 N A:ASN294 4.4 18.5 1.0 C A:ASN294 4.4 20.3 1.0 N A:GLY348 4.4 17.3 1.0 O A:ASN294 4.5 20.6 1.0 N A:GLY297 4.5 22.3 1.0 CA A:SER298 4.6 19.2 1.0 N A:SER298 4.6 19.2 1.0 CA A:GLY297 4.7 20.9 1.0 N A:ASP293 4.8 17.9 1.0 CA A:ASP293 4.8 17.5 1.0 OG A:SER298 4.8 20.6 1.0 N A:ASN347 4.9 20.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Influenza Virus Neuraminidase in Complex with Bcx-1812


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Influenza Virus Neuraminidase in Complex with Bcx-1812 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca999 b:41.9 occ:0.25 O A:HOH1399 3.0 29.8 1.0 O A:HOH1286 3.7 21.6 1.0 OD1 A:ASP113 4.9 17.1 1.0 OD2 A:ASP113 5.0 18.6 1.0

B.J.Smith, J.L.Mckimm-Breshkin, M.Mcdonald, R.T.Fernley, J.N.Varghese, P.M.Colman. Structural Studies of the Resistance of Influenza Virus Neuramindase to Inhibitors. J.Med.Chem. V. 45 2207 2002.
ISSN: ISSN 0022-2623
PubMed: 12014958
DOI: 10.1021/JM010528U