Calcium in PDB 1nsb: The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid

All present enzymatic activity of The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid:
3.2.1.18;

The structure of The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid, PDB code: 1nsb 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)	7.00 / 2.20
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 (%)	14.8 / n/a

The binding sites of Calcium atom in the The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid (pdb code 1nsb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid, PDB code: 1nsb:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2 b:18.2 occ:1.00 O A:ASP292 2.3 12.0 1.0 O A:GLY345 2.3 12.4 1.0 O A:THR296 2.4 16.4 1.0 O A:HOH1900 2.4 13.7 1.0 OD2 A:ASP323 2.4 16.8 1.0 O A:GLY343 2.4 20.4 1.0 H1 A:HOH1900 3.0 0.0 1.0 H2 A:HOH1900 3.2 0.0 1.0 C A:GLY343 3.5 20.6 1.0 C A:GLY345 3.5 13.6 1.0 C A:THR296 3.5 16.4 1.0 C A:ASP292 3.5 12.3 1.0 CG A:ASP323 3.5 16.1 1.0 H2 A:HOH1503 3.7 0.0 1.0 O A:HOH1503 3.8 9.5 1.0 H A:THR296 3.9 9.1 1.0 CA A:GLY346 4.1 11.6 1.0 CA A:GLY343 4.1 21.8 1.0 H A:ASP292 4.1 9.1 1.0 CA A:ASN293 4.1 13.4 1.0 N A:ALA297 4.2 15.3 1.0 N A:GLY346 4.2 12.4 1.0 CA A:ALA297 4.2 14.9 1.0 N A:GLY345 4.3 17.0 1.0 OD1 A:ASP323 4.3 15.5 1.0 N A:ASN293 4.3 12.8 1.0 H1 A:HOH1503 4.3 0.0 1.0 H A:GLY345 4.4 9.1 1.0 C A:ASN293 4.4 14.2 1.0 N A:THR296 4.4 17.2 1.0 CB A:ASP323 4.4 14.4 1.0 C A:ARG344 4.5 18.4 1.0 N A:ARG344 4.5 19.6 1.0 CA A:GLY345 4.5 14.7 1.0 CA A:THR296 4.6 16.4 1.0 CA A:ASP292 4.6 11.7 1.0 N A:ASP292 4.7 10.6 1.0 O A:LYS342 4.7 24.6 1.0 CB A:ASP292 4.7 12.1 1.0 CA A:ARG344 4.8 19.4 1.0 N A:SER294 4.8 15.2 1.0 O A:ASN293 4.8 14.1 1.0 O A:PRO325 4.9 16.6 1.0 O A:ARG344 4.9 18.9 1.0 H A:SER294 5.0 9.1 1.0

Calcium binding site 2 out of 3 in the The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3 b:34.7 occ:0.58 OE1 B:GLU167 2.4 17.8 1.0 OE1 A:GLU167 2.5 21.9 1.0 O B:HOH1062 2.7 30.3 0.5 CD B:GLU167 3.5 16.3 1.0 CD A:GLU167 3.6 18.0 1.0 H1 B:HOH1838 3.8 25.0 1.0 OE2 A:GLU167 4.1 18.3 1.0 OE2 B:GLU167 4.1 16.8 1.0 H1 A:HOH1602 4.2 0.0 1.0 H1 B:HOH1883 4.3 25.0 1.0 H2 B:HOH1883 4.4 25.0 1.0 H2 B:HOH1590 4.4 0.0 1.0 H2 B:HOH1838 4.5 25.0 1.0 H1 A:HOH1819 4.5 0.0 1.0 CB B:GLU167 4.6 11.7 1.0 CB A:GLU167 4.6 13.2 1.0 CG B:GLU167 4.6 14.4 1.0 O B:HOH1838 4.6 42.6 1.0 O A:HOH1821 4.7 47.6 0.5 CG A:GLU167 4.7 16.9 1.0 H1 A:HOH1415 4.8 25.0 1.0 O B:HOH1883 4.9 46.6 1.0 H2 A:HOH1415 4.9 25.0 1.0 H2 A:HOH1598 4.9 0.0 1.0 H1 A:HOH1565 4.9 0.0 1.0 O A:HOH1819 5.0 25.6 1.0

Calcium binding site 3 out of 3 in the The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The 2.2 Angstroms Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2 b:13.1 occ:1.00 O B:ASP292 2.3 8.4 1.0 O B:GLY345 2.3 12.4 1.0 O B:HOH1511 2.3 4.4 1.0 O B:THR296 2.3 11.7 1.0 OD2 B:ASP323 2.4 8.1 1.0 O B:GLY343 2.5 16.3 1.0 H2 B:HOH1511 3.0 0.0 1.0 H1 B:HOH1511 3.1 0.0 1.0 C B:THR296 3.4 11.5 1.0 C B:GLY343 3.5 15.5 1.0 CG B:ASP323 3.5 10.1 1.0 C B:ASP292 3.5 8.6 1.0 C B:GLY345 3.5 13.0 1.0 H2 B:HOH1506 3.8 0.0 1.0 H B:THR296 3.9 9.1 1.0 CA B:GLY346 4.1 11.3 1.0 O B:HOH1506 4.1 5.1 1.0 N B:ALA297 4.1 10.7 1.0 CA B:GLY343 4.1 15.7 1.0 CA B:ALA297 4.2 10.5 1.0 H B:ASP292 4.2 9.1 1.0 CA B:ASN293 4.2 8.5 1.0 OD1 B:ASP323 4.3 10.3 1.0 N B:GLY346 4.3 12.2 1.0 N B:ASN293 4.4 8.6 1.0 C B:ARG344 4.4 14.8 1.0 N B:THR296 4.4 11.6 1.0 CB B:ASP323 4.4 8.5 1.0 N B:GLY345 4.4 14.0 1.0 C B:ASN293 4.4 9.1 1.0 N B:ARG344 4.5 15.1 1.0 H1 B:HOH1506 4.5 0.0 1.0 CA B:THR296 4.5 11.3 1.0 H B:SER294 4.5 9.1 1.0 CA B:ASP292 4.6 8.4 1.0 N B:SER294 4.6 10.0 1.0 O B:ARG344 4.6 14.7 1.0 CA B:GLY345 4.6 13.2 1.0 CB B:ASP292 4.7 8.5 1.0 N B:ASP292 4.7 7.7 1.0 CA B:ARG344 4.7 15.2 1.0 O B:LYS342 4.8 17.5 1.0 H B:GLY345 4.8 9.1 1.0 O B:PRO325 4.8 9.9 1.0 O B:ASN293 4.8 8.5 1.0 H B:ALA297 5.0 9.1 1.0 OD1 B:ASP292 5.0 9.6 1.0

W.P.Burmeister, R.W.Ruigrok, S.Cusack. The 2.2 A Resolution Crystal Structure of Influenza B Neuraminidase and Its Complex with Sialic Acid. Embo J. V. 11 49 1992.
ISSN: ISSN 0261-4189
PubMed: 1740114