Calcium in PDB 3o9j: Influenza Na in Complex with Compound 5

All present enzymatic activity of Influenza Na in Complex with Compound 5:
3.2.1.18;

The structure of Influenza Na in Complex with Compound 5, PDB code: 3o9j was solved by R.J.Russell, P.S.Kerry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.64 / 2.00
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	90.580, 90.580, 109.500, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 28.2

The binding sites of Calcium atom in the Influenza Na in Complex with Compound 5 (pdb code 3o9j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Influenza Na in Complex with Compound 5, PDB code: 3o9j:

Calcium binding site 1 out of 1 in the Influenza Na in Complex with Compound 5


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza Na in Complex with Compound 5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca995 b:34.0 occ:1.00 O A:TYR352 2.3 28.8 1.0 O A:HOH67 2.4 23.8 1.0 O A:GLY299 2.5 23.7 1.0 O A:ASP295 2.5 22.7 1.0 OD1 A:ASP326 2.6 22.9 1.0 C A:TYR352 3.4 29.3 1.0 CG A:ASP326 3.5 24.0 1.0 C A:GLY299 3.6 25.2 1.0 C A:ASP295 3.7 21.1 1.0 CA A:GLY353 4.0 24.8 1.0 O A:GLY351 4.0 33.6 1.0 N A:GLY353 4.1 28.9 1.0 O A:HOH9 4.1 14.0 1.0 CB A:ASP326 4.2 23.2 1.0 C A:GLY351 4.2 34.3 1.0 CA A:ASN296 4.3 21.7 1.0 N A:GLY299 4.3 25.4 1.0 N A:TYR352 4.4 33.4 1.0 OD2 A:ASP326 4.4 24.5 1.0 N A:THR300 4.5 25.4 1.0 N A:ASN296 4.5 21.1 1.0 CA A:GLY299 4.5 25.1 1.0 CA A:TYR352 4.5 32.3 1.0 CA A:THR300 4.5 26.2 1.0 C A:ASN296 4.6 23.2 1.0 O A:GLN350 4.7 34.9 1.0 CA A:ASP295 4.8 21.1 1.0 OD2 A:ASP295 4.8 15.8 1.0 O A:PRO328 4.8 28.9 1.0 N A:TRP297 4.9 22.0 1.0 CG2 A:THR300 5.0 24.7 1.0 CB A:ASP295 5.0 21.4 1.0 N A:ASP295 5.0 19.6 1.0 CA A:GLY351 5.0 34.5 1.0

S.Rudrawar, J.C.Dyason, M.A.Rameix-Welti, F.J.Rose, P.S.Kerry, R.J.Russell, S.Van Der Werf, R.J.Thomson, N.Naffakh, M.Von Itzstein. Novel Sialic Acid Derivatives Lock Open the 150-Loop of An Influenza A Virus Group-1 Sialidase. Nat Commun V. 1 113 2010.
ISSN: ESSN 2041-1723
PubMed: 21081911
DOI: 10.1038/NCOMMS1114