Calcium in PDB 4m3m: Influenza Neuraminidase in Complex with A Stereomutated Analogue of Oseltamivir Carboxylate

The structure of Influenza Neuraminidase in Complex with A Stereomutated Analogue of Oseltamivir Carboxylate, PDB code: 4m3m was solved by P.S.Kerry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.58 / 2.10
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	90.832, 90.832, 111.987, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21.5

The binding sites of Calcium atom in the Influenza Neuraminidase in Complex with A Stereomutated Analogue of Oseltamivir Carboxylate (pdb code 4m3m). 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 Neuraminidase in Complex with A Stereomutated Analogue of Oseltamivir Carboxylate, PDB code: 4m3m:

Calcium binding site 1 out of 1 in the Influenza Neuraminidase in Complex with A Stereomutated Analogue of Oseltamivir Carboxylate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza Neuraminidase in Complex with A Stereomutated Analogue of Oseltamivir Carboxylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:19.1 occ:1.00 O A:HOH1007 2.0 19.1 1.0 O A:TYR347 2.3 14.7 1.0 O A:ASP293 2.4 17.3 1.0 OD1 A:ASP324 2.4 17.6 1.0 O A:GLY297 2.5 18.5 1.0 O A:HOH604 2.6 16.8 1.0 C A:TYR347 3.4 17.9 1.0 CG A:ASP324 3.5 18.1 1.0 C A:ASP293 3.6 16.3 1.0 C A:GLY297 3.6 18.3 1.0 O A:GLY346 3.8 22.3 1.0 CA A:GLY348 3.8 16.9 1.0 N A:GLY348 4.1 20.6 1.0 O A:GLN345 4.2 19.3 1.0 CB A:ASP324 4.2 13.9 1.0 C A:GLY346 4.3 25.9 1.0 O A:HOH606 4.3 14.3 1.0 CA A:ASN294 4.3 16.7 1.0 OD2 A:ASP324 4.3 13.4 1.0 N A:ASN294 4.4 14.5 1.0 N A:GLY297 4.4 20.4 1.0 OD2 A:ASP293 4.5 15.4 1.0 CA A:GLY297 4.5 17.9 1.0 N A:THR298 4.5 20.8 1.0 N A:TYR347 4.6 22.7 1.0 CA A:ASP293 4.6 15.0 1.0 CA A:TYR347 4.6 21.9 1.0 CA A:THR298 4.6 16.1 1.0 CB A:ASP293 4.6 18.2 1.0 C A:ASN294 4.8 16.2 1.0 O A:PRO326 4.9 18.7 1.0 N A:ASP293 4.9 13.8 1.0 N A:TRP295 4.9 15.5 1.0 C A:GLN345 5.0 22.3 1.0

A.Sartori, L.Dell'amico, L.Battistini, C.Curti, S.Rivara, D.Pala, P.S.Kerry, G.Pelosi, G.Casiraghi, G.Rassu, F.Zanardi. Synthesis, Structure and Inhibitory Activity of A Stereoisomer of Oseltamivir Carboxylate. Org.Biomol.Chem. V. 12 1561 2014.
ISSN: ISSN 1477-0520
PubMed: 24425043
DOI: 10.1039/C3OB42069H