Calcium in PDB 5hum: The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus

The structure of The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus, PDB code: 5hum was solved by H.Yang, P.J.Carney, Z.Guo, J.C.Chang, J.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.80 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	117.335, 76.277, 117.211, 90.00, 90.02, 90.00
R / Rfree (%)	19.8 / 22

The binding sites of Calcium atom in the The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus (pdb code 5hum). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus, PDB code: 5hum:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:20.5 occ:1.00 O A:HOH866 2.2 30.8 1.0 O A:PRO269 2.2 17.8 1.0 O A:ASP215 2.3 19.4 1.0 OD2 A:ASP246 2.3 19.0 1.0 O A:GLY219 2.3 22.0 1.0 O A:HOH917 2.4 20.8 1.0 CG A:ASP246 3.4 20.7 1.0 C A:PRO269 3.4 20.1 1.0 C A:GLY219 3.5 22.5 1.0 C A:ASP215 3.5 17.9 1.0 O A:HOH767 4.0 18.8 1.0 CA A:GLY270 4.1 15.5 1.0 O A:HOH663 4.1 34.8 1.0 CB A:ASP246 4.1 17.6 1.0 CA A:ASN216 4.2 15.0 1.0 N A:GLY270 4.2 17.8 1.0 N A:ALA220 4.3 20.1 1.0 OD1 A:ASP246 4.3 19.4 1.0 N A:ASN216 4.3 16.5 1.0 CA A:ALA220 4.4 24.6 1.0 N A:GLY219 4.4 19.3 1.0 CA A:PRO269 4.5 21.5 1.0 CA A:GLY219 4.5 18.6 1.0 CA A:ASP215 4.5 15.4 1.0 C A:ASN216 4.6 19.8 1.0 N A:ASP215 4.7 14.4 1.0 CB A:ASP215 4.7 15.9 1.0 O A:HOH987 4.8 49.0 1.0 C A:LYS218 4.8 25.8 1.0 O A:LYS218 4.8 23.2 1.0 O A:HOH857 5.0 28.2 1.0 OD2 A:ASP215 5.0 18.0 1.0 O A:SER248 5.0 21.9 1.0

Calcium binding site 2 out of 4 in the The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:23.8 occ:1.00 O B:PRO269 2.3 20.8 1.0 O B:HOH767 2.3 24.5 1.0 O B:ASP215 2.3 22.1 1.0 O B:GLY219 2.4 19.2 1.0 O B:HOH803 2.4 20.6 1.0 OD2 B:ASP246 2.4 21.0 1.0 CG B:ASP246 3.4 18.3 1.0 C B:PRO269 3.4 19.4 1.0 C B:GLY219 3.5 21.0 1.0 C B:ASP215 3.6 16.3 1.0 O B:HOH612 4.1 39.3 1.0 CA B:GLY270 4.1 16.9 1.0 O B:HOH763 4.1 27.5 1.0 CB B:ASP246 4.2 20.2 1.0 CA B:ASN216 4.3 13.7 1.0 OD1 B:ASP246 4.3 18.9 1.0 N B:GLY270 4.3 20.0 1.0 N B:ALA220 4.3 22.0 1.0 N B:ASN216 4.4 18.9 1.0 CA B:ALA220 4.4 22.5 1.0 CA B:PRO269 4.4 24.3 1.0 N B:GLY219 4.5 17.9 1.0 CA B:GLY219 4.5 17.9 1.0 CA B:ASP215 4.6 20.3 1.0 C B:ASN216 4.7 18.7 1.0 N B:ASP215 4.7 16.2 1.0 O B:HOH995 4.8 37.4 1.0 CB B:ASP215 4.8 17.3 1.0 C B:LYS218 4.8 28.8 1.0 O B:LYS218 4.9 28.0 1.0 O B:SER248 4.9 22.5 1.0 OD2 B:ASP215 5.0 21.7 1.0 CB B:PRO269 5.0 21.8 1.0

Calcium binding site 3 out of 4 in the The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca501 b:27.2 occ:1.00 O C:GLY219 2.3 30.6 1.0 OD2 C:ASP246 2.3 20.5 1.0 O C:ASP215 2.3 22.9 1.0 O C:PRO269 2.4 22.5 1.0 O C:HOH680 2.5 23.9 1.0 O C:HOH861 2.5 37.5 1.0 C C:GLY219 3.4 34.4 1.0 CG C:ASP246 3.4 21.7 1.0 C C:ASP215 3.5 24.6 1.0 C C:PRO269 3.6 24.9 1.0 O C:HOH826 3.9 25.9 1.0 CA C:GLY270 4.1 23.9 1.0 N C:ALA220 4.2 23.9 1.0 CB C:ASP246 4.2 24.6 1.0 O C:HOH632 4.2 36.0 1.0 CA C:ASN216 4.3 27.1 1.0 OD1 C:ASP246 4.3 20.4 1.0 CA C:ALA220 4.3 22.7 1.0 N C:ASN216 4.4 22.6 1.0 N C:GLY270 4.4 27.4 1.0 N C:GLY219 4.4 28.7 1.0 CA C:GLY219 4.4 29.1 1.0 CA C:ASP215 4.5 19.4 1.0 CA C:PRO269 4.6 25.3 1.0 N C:ASP215 4.6 24.4 1.0 CB C:ASP215 4.7 20.8 1.0 C C:ASN216 4.7 25.8 1.0 O C:HOH928 4.7 44.0 1.0 C C:LYS218 4.8 29.9 1.0 OD2 C:ASP215 4.9 26.7 1.0 O C:LYS218 4.9 29.6 1.0

Calcium binding site 4 out of 4 in the The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Crystal Structure of Neuraminidase From A/Sichuan/26221/2014 Influenza Virus within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca501 b:22.7 occ:1.00 O D:GLY219 2.2 22.8 1.0 OD2 D:ASP246 2.3 21.2 1.0 O D:ASP215 2.3 23.1 1.0 O D:PRO269 2.4 25.9 1.0 O D:HOH902 2.4 36.3 1.0 O D:HOH642 2.5 23.4 1.0 C D:GLY219 3.4 28.9 1.0 CG D:ASP246 3.4 21.6 1.0 C D:PRO269 3.5 20.5 1.0 C D:ASP215 3.5 19.6 1.0 O D:HOH788 4.0 18.6 1.0 O D:HOH658 4.1 37.0 1.0 CA D:GLY270 4.1 22.5 1.0 CB D:ASP246 4.2 20.8 1.0 N D:ALA220 4.2 24.2 1.0 OD1 D:ASP246 4.3 21.5 1.0 CA D:ASN216 4.3 21.6 1.0 N D:GLY270 4.3 23.5 1.0 CA D:ALA220 4.3 22.3 1.0 N D:GLY219 4.4 25.0 1.0 N D:ASN216 4.4 19.3 1.0 CA D:GLY219 4.4 26.7 1.0 CA D:ASP215 4.5 20.3 1.0 CA D:PRO269 4.5 21.3 1.0 O D:HOH971 4.6 40.9 1.0 N D:ASP215 4.6 19.4 1.0 C D:ASN216 4.7 23.0 1.0 CB D:ASP215 4.7 22.0 1.0 C D:LYS218 4.8 30.5 1.0 O D:LYS218 4.9 31.1 1.0 OD2 D:ASP215 4.9 22.0 1.0 O D:HOH904 4.9 41.2 1.0 O D:SER248 4.9 23.9 1.0

H.Yang, P.J.Carney, V.P.Mishin, Z.Guo, J.C.Chang, D.E.Wentworth, L.V.Gubareva, J.Stevens. Molecular Characterizations of Surface Proteins Hemagglutinin and Neuraminidase From Recent H5NX Avian Influenza Viruses. J.Virol. V. 90 5770 2016.
ISSN: ESSN 1098-5514
PubMed: 27053557
DOI: 10.1128/JVI.00180-16