Calcium in PDB 1ive: Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase

All present enzymatic activity of Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase:
3.2.1.18;

The structure of Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase, PDB code: 1ive was solved by M.J.Jedrzejas, M.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.50 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	121.880, 140.880, 141.490, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / n/a

The binding sites of Calcium atom in the Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase (pdb code 1ive). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase, PDB code: 1ive:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca470 b:14.9 occ:1.00 O A:THR346 2.0 20.9 1.0 O A:ASP293 2.1 6.6 1.0 O A:GLY297 2.2 12.3 1.0 O A:GLN347 2.6 15.8 1.0 O A:GLY345 2.7 18.9 1.0 C A:THR346 3.1 19.6 1.0 C A:ASP293 3.3 9.2 1.0 C A:GLY297 3.4 14.1 1.0 C A:GLN347 3.5 15.8 1.0 C A:GLY345 3.5 17.3 1.0 OD2 A:ASP324 3.6 11.1 1.0 CG A:ASP324 3.9 12.3 1.0 H A:GLY297 3.9 15.0 1.0 CA A:THR346 3.9 17.2 1.0 OD1 A:ASP324 4.0 9.6 1.0 N A:THR346 4.1 17.0 1.0 CA A:ASN294 4.1 8.4 1.0 N A:ASN294 4.1 8.8 1.0 N A:GLN347 4.2 16.9 1.0 CA A:GLY348 4.2 12.9 1.0 N A:SER298 4.3 13.4 1.0 N A:GLY348 4.3 14.9 1.0 CA A:SER298 4.3 13.6 1.0 C A:ASN294 4.4 9.4 1.0 CA A:GLN347 4.4 16.0 1.0 CA A:GLY297 4.4 14.3 1.0 CA A:ASP293 4.4 9.1 1.0 N A:GLY297 4.5 14.7 1.0 CA A:GLY345 4.5 15.8 1.0 H A:ASP293 4.6 15.0 1.0 CB A:ASP293 4.6 9.4 1.0 CB A:ASP324 4.6 8.8 1.0 O A:ARG344 4.6 12.8 1.0 OD1 A:ASP293 4.8 6.8 1.0 N A:ASP293 4.8 12.1 1.0 N A:TRP295 4.8 9.1 1.0 H A:TRP295 4.9 15.0 1.0 H A:THR346 4.9 15.0 1.0 O A:ASN294 4.9 9.7 1.0

Calcium binding site 2 out of 2 in the Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca470 b:14.9 occ:1.00 O B:THR346 2.0 20.9 1.0 O B:ASP293 2.1 6.6 1.0 O B:GLY297 2.2 12.3 1.0 O B:GLN347 2.6 15.8 1.0 O B:GLY345 2.7 18.9 1.0 C B:THR346 3.1 19.6 1.0 C B:ASP293 3.3 9.2 1.0 C B:GLY297 3.4 14.1 1.0 C B:GLN347 3.5 15.8 1.0 C B:GLY345 3.5 17.3 1.0 OD2 B:ASP324 3.6 11.1 1.0 CG B:ASP324 3.9 12.3 1.0 H B:GLY297 3.9 15.0 1.0 CA B:THR346 3.9 17.2 1.0 OD1 B:ASP324 4.0 9.6 1.0 N B:THR346 4.1 17.0 1.0 CA B:ASN294 4.1 8.4 1.0 N B:ASN294 4.1 8.8 1.0 N B:GLN347 4.2 16.9 1.0 CA B:GLY348 4.2 12.9 1.0 N B:SER298 4.3 13.4 1.0 N B:GLY348 4.3 14.9 1.0 CA B:SER298 4.3 13.6 1.0 C B:ASN294 4.4 9.4 1.0 CA B:GLN347 4.4 16.0 1.0 CA B:GLY297 4.4 14.3 1.0 CA B:ASP293 4.4 9.1 1.0 N B:GLY297 4.5 14.7 1.0 CA B:GLY345 4.5 15.8 1.0 H B:ASP293 4.6 15.0 1.0 CB B:ASP293 4.6 9.4 1.0 CB B:ASP324 4.6 8.8 1.0 O B:ARG344 4.6 12.8 1.0 OD1 B:ASP293 4.8 6.8 1.0 N B:ASP293 4.8 12.1 1.0 N B:TRP295 4.8 9.1 1.0 H B:TRP295 4.9 15.0 1.0 H B:THR346 4.9 15.0 1.0 O B:ASN294 4.9 9.7 1.0

M.J.Jedrzejas, S.Singh, W.J.Brouillette, W.G.Laver, G.M.Air, M.Luo. Structures of Aromatic Inhibitors of Influenza Virus Neuraminidase. Biochemistry V. 34 3144 1995.
ISSN: ISSN 0006-2960
PubMed: 7880809
DOI: 10.1021/BI00010A003