Calcium in PDB 1nsd: Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor

All present enzymatic activity of Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor:
3.2.1.18;

The structure of Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor, PDB code: 1nsd was solved by W.P.Burmeister, R.W.H.Ruigrok, S.Cusack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.900, 88.900, 222.800, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / n/a

The binding sites of Calcium atom in the Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor (pdb code 1nsd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor, PDB code: 1nsd:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca468 b:11.9 occ:1.00 O A:ASP292 2.3 9.1 1.0 O A:THR296 2.3 12.9 1.0 O A:GLY345 2.3 7.8 1.0 O A:HOH648 2.3 6.1 1.0 OD2 A:ASP323 2.3 12.1 1.0 O A:GLY343 2.3 8.3 1.0 H1 A:HOH648 2.9 0.0 1.0 H2 A:HOH648 3.2 0.0 1.0 C A:THR296 3.4 15.9 1.0 C A:GLY343 3.4 11.9 1.0 C A:GLY345 3.5 8.4 1.0 C A:ASP292 3.5 10.5 1.0 CG A:ASP323 3.5 17.7 1.0 H A:THR296 3.9 9.1 1.0 H2 A:HOH471 3.9 0.0 1.0 O A:HOH471 4.0 8.3 1.0 CA A:GLY346 4.1 7.8 1.0 CA A:GLY343 4.1 12.6 1.0 N A:ALA297 4.1 13.2 1.0 CA A:ALA297 4.2 14.7 1.0 N A:GLY346 4.2 10.1 1.0 H A:ASP292 4.2 9.1 1.0 CA A:ASN293 4.2 11.5 1.0 OD1 A:ASP323 4.3 14.1 1.0 N A:ASN293 4.3 9.5 1.0 N A:GLY345 4.4 12.4 1.0 N A:THR296 4.4 16.4 1.0 C A:ARG344 4.4 16.0 1.0 C A:ASN293 4.4 11.5 1.0 CB A:ASP323 4.4 12.0 1.0 N A:ARG344 4.5 13.6 1.0 H1 A:HOH471 4.5 0.0 1.0 CA A:THR296 4.5 14.7 1.0 CA A:GLY345 4.6 10.6 1.0 CA A:ASP292 4.6 9.1 1.0 H A:GLY345 4.6 9.1 1.0 O A:LYS342 4.7 19.0 1.0 O A:ARG344 4.7 15.1 1.0 H A:SER294 4.7 9.1 1.0 O A:PRO325 4.7 15.2 1.0 N A:ASP292 4.7 13.2 1.0 O A:ASN293 4.7 12.2 1.0 N A:SER294 4.7 16.0 1.0 CB A:ASP292 4.7 10.4 1.0 CA A:ARG344 4.8 17.3 1.0

Calcium binding site 2 out of 3 in the Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca470 b:34.7 occ:0.59 OE1 A:GLU167 2.3 14.3 1.0 OE1 B:GLU167 2.3 15.5 1.0 O B:HOH539 2.7 30.3 0.5 CD A:GLU167 3.4 10.6 1.0 CD B:GLU167 3.5 19.2 1.0 H1 B:HOH677 3.9 25.0 1.0 H1 B:HOH676 3.9 25.0 1.0 OE2 A:GLU167 4.0 12.1 1.0 OE2 B:GLU167 4.0 13.3 1.0 H1 A:HOH579 4.3 0.0 1.0 H1 A:HOH604 4.6 25.0 1.0 CB A:GLU167 4.6 3.3 1.0 H1 A:HOH611 4.6 0.0 1.0 CG A:GLU167 4.6 11.2 1.0 CB B:GLU167 4.6 7.0 1.0 CG B:GLU167 4.6 11.7 1.0 O A:HOH613 4.7 47.6 0.5 O B:HOH677 4.7 52.5 1.0 O B:HOH676 4.7 35.0 1.0 H2 B:HOH485 4.9 0.0 1.0 O A:HOH611 4.9 28.1 1.0 H2 B:HOH676 4.9 25.0 1.0 H2 A:HOH505 4.9 0.0 1.0

Calcium binding site 3 out of 3 in the Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca469 b:8.5 occ:1.00 O B:ASP292 2.3 5.8 1.0 OD2 B:ASP323 2.3 6.9 1.0 O B:GLY345 2.3 8.3 1.0 O B:HOH572 2.3 9.3 1.0 O B:THR296 2.4 4.1 1.0 O B:GLY343 2.4 9.0 1.0 H2 B:HOH572 3.0 0.0 1.0 H1 B:HOH572 3.2 0.0 1.0 CG B:ASP323 3.5 6.3 1.0 C B:THR296 3.5 12.3 1.0 C B:GLY343 3.5 11.5 1.0 C B:ASP292 3.5 7.6 1.0 C B:GLY345 3.5 10.0 1.0 H2 B:HOH571 3.9 0.0 1.0 H B:THR296 4.0 9.1 1.0 O B:HOH571 4.0 8.1 1.0 CA B:GLY343 4.1 11.6 1.0 CA B:GLY346 4.1 8.2 1.0 H B:ASP292 4.2 9.1 1.0 N B:ALA297 4.2 6.8 1.0 CA B:ALA297 4.2 9.6 1.0 OD1 B:ASP323 4.2 8.9 1.0 CA B:ASN293 4.3 5.1 1.0 N B:GLY346 4.3 9.3 1.0 N B:ASN293 4.4 8.1 1.0 CB B:ASP323 4.4 4.6 1.0 C B:ARG344 4.4 13.9 1.0 C B:ASN293 4.4 6.8 1.0 N B:THR296 4.5 9.4 1.0 N B:GLY345 4.5 11.1 1.0 H1 B:HOH571 4.5 0.0 1.0 CA B:ASP292 4.6 9.6 1.0 N B:ARG344 4.6 11.5 1.0 CA B:THR296 4.6 11.3 1.0 O B:ARG344 4.6 12.8 1.0 H B:SER294 4.6 9.1 1.0 CB B:ASP292 4.7 11.1 1.0 CA B:GLY345 4.7 9.7 1.0 N B:ASP292 4.7 8.0 1.0 N B:SER294 4.7 8.0 1.0 O B:LYS342 4.8 14.5 1.0 O B:PRO325 4.8 10.0 1.0 O B:ASN293 4.8 7.5 1.0 H B:GLY345 4.8 9.1 1.0 CA B:ARG344 4.8 12.8 1.0

W.P.Burmeister, B.Henrissat, C.Bosso, S.Cusack, R.W.Ruigrok. Influenza B Virus Neuraminidase Can Synthesize Its Own Inhibitor. Structure V. 1 19 1993.
ISSN: ISSN 0969-2126
PubMed: 8069621
DOI: 10.1016/0969-2126(93)90005-2