Calcium in PDB 4mww: Shanghai N9-Oseltamivir Carboxylate

The structure of Shanghai N9-Oseltamivir Carboxylate, PDB code: 4mww was solved by Y.Wu, J.X.Qi, F.Gao, G.F.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.48 / 1.90
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.925, 180.925, 180.925, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 16.6

The binding sites of Calcium atom in the Shanghai N9-Oseltamivir Carboxylate (pdb code 4mww). 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 Shanghai N9-Oseltamivir Carboxylate, PDB code: 4mww:

Calcium binding site 1 out of 1 in the Shanghai N9-Oseltamivir Carboxylate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Shanghai N9-Oseltamivir Carboxylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca512 b:24.2 occ:1.00 O A:HOH654 2.4 17.6 1.0 OD2 A:ASP326 2.5 22.8 1.0 O A:HOH665 2.7 14.1 1.0 O A:ASN348 2.7 13.2 1.0 O A:ASP295 2.7 14.0 1.0 O A:GLY299 2.7 19.4 1.0 CG A:ASP326 3.4 16.9 1.0 C A:ASN348 3.7 18.8 1.0 C A:GLY299 3.8 21.0 1.0 CA A:GLY349 3.8 13.7 1.0 C A:ASP295 3.9 16.7 1.0 O A:HOH649 4.1 14.3 1.0 OD1 A:ASP326 4.2 11.7 1.0 N A:GLY349 4.2 13.1 1.0 CA A:ASN296 4.2 13.2 1.0 CB A:ASP326 4.3 14.7 1.0 C A:ASN296 4.4 17.4 1.0 O A:ASN296 4.5 19.3 1.0 CA A:SER300 4.5 11.8 1.0 N A:GLY299 4.5 16.3 1.0 N A:ASN296 4.5 13.5 1.0 OG A:SER300 4.5 16.1 1.0 N A:SER300 4.6 13.6 1.0 O A:ASN345 4.6 22.7 1.0 CA A:GLY299 4.7 16.1 1.0 N A:ASN348 4.8 14.2 1.0 CA A:ASN348 4.9 13.3 1.0 CG A:LYS294 4.9 12.7 1.0 CA A:ASP295 4.9 11.8 1.0 O A:PRO328 4.9 14.1 1.0

Y.Wu, Y.H.Bi, C.J.Vavricka, X.M.Sun, Y.F.Zhang, F.Gao, M.Zhao, H.X.Xiao, C.F.Qin, J.H.He, W.J.Liu, J.H.Yan, J.X.Qi, G.F.Gao. Characterization of Two Distinct Neuraminidases From Avian-Origin Human-Infecting H7N9 Influenza Viruses Cell Res. V. 23 1347 2013.
ISSN: ISSN 1001-0602
PubMed: 24165891
DOI: 10.1038/CR.2013.144