Calcium in PDB 5kv9: Crystal Structure of A Hpiv Haemagglutinin-Neuraminidase-Inhibitor Complex

All present enzymatic activity of Crystal Structure of A Hpiv Haemagglutinin-Neuraminidase-Inhibitor Complex:
3.2.1.18;

The structure of Crystal Structure of A Hpiv Haemagglutinin-Neuraminidase-Inhibitor Complex, PDB code: 5kv9 was solved by L.Dirr, I.M.El-Deeb, L.M.G.Chavas, P.Guillon, M.Von Itzstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.87 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	80.098, 107.373, 94.492, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 20.6

The binding sites of Calcium atom in the Crystal Structure of A Hpiv Haemagglutinin-Neuraminidase-Inhibitor Complex (pdb code 5kv9). 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 Crystal Structure of A Hpiv Haemagglutinin-Neuraminidase-Inhibitor Complex, PDB code: 5kv9:

Calcium binding site 1 out of 1 in the Crystal Structure of A Hpiv Haemagglutinin-Neuraminidase-Inhibitor Complex


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 A Hpiv Haemagglutinin-Neuraminidase-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:17.6 occ:1.00 O B:GLY284 2.3 16.7 1.0 O B:ALA316 2.3 17.8 1.0 O B:ASP279 2.3 20.6 1.0 OD1 B:ASP279 2.3 16.6 1.0 O B:SER282 2.4 20.1 1.0 OG B:SER282 2.5 18.4 1.0 O B:HOH715 2.6 22.2 1.0 C B:ASP279 3.3 18.6 1.0 C B:SER282 3.4 24.9 1.0 C B:ALA316 3.4 17.2 1.0 C B:GLY284 3.5 18.4 1.0 CG B:ASP279 3.5 18.0 1.0 CA B:ASP279 3.7 18.9 1.0 CB B:SER282 3.8 23.7 1.0 CA B:SER282 4.0 22.7 1.0 O B:SER283 4.1 21.8 1.0 CA B:ALA316 4.1 17.0 1.0 N B:SER282 4.2 22.6 1.0 C B:SER283 4.2 21.4 1.0 CA B:ILE285 4.2 17.7 1.0 CB B:ASP279 4.2 17.2 1.0 N B:ILE285 4.3 17.8 1.0 O B:HOH884 4.4 28.4 1.0 N B:SER283 4.4 22.3 1.0 N B:GLY284 4.4 22.3 1.0 N B:TYR280 4.5 18.6 1.0 N B:ALA317 4.5 14.8 1.0 OD2 B:ASP279 4.5 17.7 1.0 CA B:GLY284 4.5 20.1 1.0 O B:HOH762 4.6 27.0 1.0 CB B:ALA316 4.6 17.9 1.0 C B:ILE285 4.6 19.1 1.0 CA B:ALA317 4.7 16.2 1.0 OE2 B:GLU286 4.7 23.2 1.0 CA B:SER283 4.8 24.8 1.0 N B:GLU286 4.8 17.1 1.0 CA B:TYR280 4.9 19.5 1.0 CB B:ALA317 4.9 16.4 1.0 O B:SER278 4.9 18.9 1.0

L.Dirr, I.M.El-Deeb, L.M.G.Chavas, P.Guillon, M.V.Itzstein. The Impact of the Butterfly Effect on Human Parainfluenza Virus Haemagglutinin-Neuraminidase Inhibitor Design. Sci Rep V. 7 4507 2017.
ISSN: ESSN 2045-2322
PubMed: 28674426
DOI: 10.1038/S41598-017-04656-Y