Calcium in PDB 1v3e: Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Zanamavir

All present enzymatic activity of Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Zanamavir:
3.2.1.18;

The structure of Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Zanamavir, PDB code: 1v3e was solved by M.C.Lawrence, N.A.Borg, V.A.Streltsov, P.A.Pilling, V.C.Epa, J.N.Varghese, J.L.Mckimm-Breschkin, P.M.Colman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.97 / 1.89
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	218.451, 218.451, 109.904, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 21.9

The binding sites of Calcium atom in the Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Zanamavir (pdb code 1v3e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Zanamavir, PDB code: 1v3e:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Zanamavir


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Zanamavir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca4001 b:32.6 occ:1.00 O A:ALA316 2.2 27.1 1.0 O A:ASP279 2.3 30.8 1.0 O A:HOH4048 2.3 36.9 1.0 O A:GLY284 2.3 30.8 1.0 O A:SER282 2.4 32.6 1.0 OD1 A:ASP279 2.4 24.8 1.0 OG A:SER282 2.5 37.2 1.0 C A:ASP279 3.3 31.0 1.0 C A:ALA316 3.4 18.5 1.0 C A:SER282 3.4 35.6 1.0 C A:GLY284 3.6 28.9 1.0 CG A:ASP279 3.6 39.3 1.0 CA A:ASP279 3.7 28.6 1.0 CB A:SER282 3.7 37.9 1.0 CA A:SER282 3.9 29.7 1.0 CA A:ALA316 4.1 21.2 1.0 N A:SER282 4.1 37.4 1.0 O A:HOH4167 4.2 42.7 1.0 C A:PRO283 4.2 27.8 1.0 O A:PRO283 4.2 27.5 1.0 CA A:ILE285 4.3 28.6 1.0 CB A:ASP279 4.3 30.3 1.0 N A:ILE285 4.4 33.2 1.0 N A:ALA317 4.4 29.7 1.0 N A:TYR280 4.4 29.9 1.0 N A:GLY284 4.5 28.9 1.0 N A:PRO283 4.5 35.5 1.0 O A:HOH4208 4.5 49.6 1.0 OD2 A:ASP279 4.5 26.8 1.0 CB A:ALA316 4.6 26.5 1.0 CA A:GLY284 4.6 30.2 1.0 CA A:ALA317 4.7 22.2 1.0 C A:ILE285 4.7 30.8 1.0 CA A:PRO283 4.7 30.0 1.0 O A:SER278 4.8 37.4 1.0 OE2 A:GLU286 4.8 38.1 1.0 CA A:TYR280 4.8 31.9 1.0 CB A:ALA317 4.9 23.6 1.0 N A:GLU286 5.0 27.1 1.0

Calcium binding site 2 out of 2 in the Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Zanamavir


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Zanamavir within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2001 b:26.8 occ:1.00 O B:ALA316 2.2 24.1 1.0 O B:ASP279 2.3 25.8 1.0 O B:HOH5279 2.3 29.8 1.0 O B:GLY284 2.4 27.6 1.0 O B:SER282 2.4 29.6 1.0 OD1 B:ASP279 2.4 23.0 1.0 OG B:SER282 2.5 25.9 1.0 C B:ASP279 3.2 17.5 1.0 C B:SER282 3.4 38.5 1.0 C B:ALA316 3.5 24.5 1.0 CG B:ASP279 3.5 31.9 1.0 C B:GLY284 3.6 29.0 1.0 CA B:ASP279 3.6 27.7 1.0 CB B:SER282 3.7 37.3 1.0 CA B:SER282 3.9 28.5 1.0 O B:HOH5402 4.0 30.1 1.0 N B:SER282 4.2 29.4 1.0 O B:PRO283 4.2 25.5 1.0 CB B:ASP279 4.2 22.8 1.0 C B:PRO283 4.2 33.3 1.0 CA B:ILE285 4.3 24.0 1.0 CA B:ALA316 4.3 25.3 1.0 N B:GLY284 4.4 26.6 1.0 N B:ILE285 4.4 25.2 1.0 N B:TYR280 4.4 19.9 1.0 N B:ALA317 4.5 22.5 1.0 N B:PRO283 4.5 37.9 1.0 O B:HOH5479 4.5 42.1 1.0 OD2 B:ASP279 4.5 24.6 1.0 CA B:GLY284 4.6 27.8 1.0 CA B:ALA317 4.6 19.0 1.0 C B:ILE285 4.7 18.7 1.0 CA B:PRO283 4.8 30.3 1.0 CB B:ALA316 4.8 24.1 1.0 O B:SER278 4.8 21.4 1.0 OE2 B:GLU286 4.9 37.6 1.0 N B:GLU286 4.9 22.8 1.0 CA B:TYR280 4.9 26.7 1.0 CB B:ALA317 5.0 17.7 1.0 N B:ASP279 5.0 30.2 1.0

M.C.Lawrence, N.A.Borg, V.A.Streltsov, P.A.Pilling, V.C.Epa, J.N.Varghese, J.L.Mckimm-Breschkin, P.M.Colman. Structure of the Haemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III J.Mol.Biol. V. 335 1343 2004.
ISSN: ISSN 0022-2836
PubMed: 14729348
DOI: 10.1016/J.JMB.2003.11.032