Calcium in PDB 1usr: Newcastle Disease Virus Hemagglutinin-Neuraminidase: Evidence For A Second Sialic Acid Binding Site and Implications For Fusion

All present enzymatic activity of Newcastle Disease Virus Hemagglutinin-Neuraminidase: Evidence For A Second Sialic Acid Binding Site and Implications For Fusion:
3.2.1.18;

The structure of Newcastle Disease Virus Hemagglutinin-Neuraminidase: Evidence For A Second Sialic Acid Binding Site and Implications For Fusion, PDB code: 1usr was solved by V.Zaitsev, M.Von Itzstein, D.Groves, M.Kiefel, T.Takimoto, A.Portner, G.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.0 / 2.0
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	175.480, 99.260, 64.330, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.6

The binding sites of Calcium atom in the Newcastle Disease Virus Hemagglutinin-Neuraminidase: Evidence For A Second Sialic Acid Binding Site and Implications For Fusion (pdb code 1usr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Newcastle Disease Virus Hemagglutinin-Neuraminidase: Evidence For A Second Sialic Acid Binding Site and Implications For Fusion, PDB code: 1usr:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Newcastle Disease Virus Hemagglutinin-Neuraminidase: Evidence For A Second Sialic Acid Binding Site and Implications For Fusion


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Newcastle Disease Virus Hemagglutinin-Neuraminidase: Evidence For A Second Sialic Acid Binding Site and Implications For Fusion within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1574 b:27.9 occ:1.00 O A:VAL296 2.3 27.4 1.0 O A:ASP261 2.3 27.8 1.0 OD1 A:ASP261 2.5 24.8 1.0 O A:SER264 2.5 31.1 1.0 O A:VAL266 2.5 25.0 1.0 OG A:SER264 2.7 34.4 1.0 C A:ASP261 3.3 29.0 1.0 C A:SER264 3.4 33.0 1.0 C A:VAL296 3.5 25.6 1.0 CB A:SER264 3.6 34.5 1.0 CG A:ASP261 3.7 28.4 1.0 OE2 A:GLU256 3.7 48.2 1.0 C A:VAL266 3.7 25.6 1.0 CA A:ASP261 3.8 29.4 1.0 CA A:SER264 3.9 33.3 1.0 N A:SER264 4.1 34.5 1.0 CA A:VAL296 4.3 24.8 1.0 CB A:ASP261 4.3 28.6 1.0 N A:VAL266 4.4 28.0 1.0 N A:TYR262 4.4 28.6 1.0 N A:ALA297 4.5 24.4 1.0 C A:ALA265 4.5 29.3 1.0 C A:PRO267 4.5 24.2 1.0 N A:ALA265 4.5 30.7 1.0 CG2 A:VAL266 4.5 27.2 1.0 CA A:PRO267 4.6 23.8 1.0 OD2 A:ASP261 4.6 25.7 1.0 N A:PRO267 4.6 25.0 1.0 O A:PRO267 4.7 24.0 1.0 CA A:VAL266 4.7 26.9 1.0 CA A:ALA297 4.7 23.1 1.0 CB A:VAL296 4.7 23.6 1.0 O A:ALA265 4.8 30.0 1.0 O A:HOH2141 4.9 45.5 1.0 CA A:TYR262 4.9 30.2 1.0 O A:GLU260 4.9 32.0 1.0 CD A:GLU256 4.9 46.8 1.0 CB A:ALA297 4.9 22.3 1.0 N A:THR268 4.9 23.1 1.0 CA A:ALA265 5.0 30.0 1.0

Calcium binding site 2 out of 2 in the Newcastle Disease Virus Hemagglutinin-Neuraminidase: Evidence For A Second Sialic Acid Binding Site and Implications For Fusion


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Newcastle Disease Virus Hemagglutinin-Neuraminidase: Evidence For A Second Sialic Acid Binding Site and Implications For Fusion within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1573 b:18.6 occ:1.00 O B:VAL296 2.3 15.9 1.0 O B:ASP261 2.4 19.6 1.0 O B:VAL266 2.4 17.0 1.0 O B:HOH2153 2.5 16.6 1.0 OG B:SER264 2.5 24.3 1.0 OD1 B:ASP261 2.5 15.8 1.0 O B:SER264 2.5 19.0 1.0 C B:ASP261 3.4 19.0 1.0 C B:SER264 3.5 22.1 1.0 C B:VAL296 3.5 16.6 1.0 CB B:SER264 3.6 24.1 1.0 C B:VAL266 3.7 20.4 1.0 CG B:ASP261 3.7 19.6 1.0 CA B:ASP261 3.9 19.3 1.0 CA B:SER264 3.9 23.2 1.0 N B:SER264 4.1 24.3 1.0 OE2 B:GLU256 4.1 38.1 1.0 CA B:VAL296 4.3 15.7 1.0 N B:VAL266 4.4 21.2 1.0 CB B:ASP261 4.4 19.1 1.0 CG2 B:VAL266 4.4 24.8 1.0 C B:PRO267 4.5 19.1 1.0 N B:TYR262 4.5 19.3 1.0 N B:ALA297 4.5 16.2 1.0 C B:ALA265 4.5 20.5 1.0 N B:ALA265 4.6 19.2 1.0 CA B:VAL266 4.6 21.5 1.0 CA B:PRO267 4.6 19.4 1.0 N B:PRO267 4.6 20.6 1.0 CA B:ALA297 4.7 15.7 1.0 OD2 B:ASP261 4.7 20.1 1.0 OE1 B:GLU256 4.7 34.0 1.0 O B:PRO267 4.7 16.8 1.0 N B:THR268 4.8 16.8 1.0 CB B:VAL296 4.8 17.0 1.0 O B:ALA265 4.8 19.4 1.0 CD B:GLU256 4.8 34.9 1.0 O B:HOH2152 4.9 34.5 1.0 CB B:ALA297 4.9 14.1 1.0 O B:HOH2154 4.9 42.0 1.0 CA B:TYR262 4.9 20.3 1.0 O B:GLU260 4.9 18.1 1.0

V.Zaitsev, M.Von Itzstein, D.Groves, M.Kiefel, T.Takimoto, A.Portner, G.Taylor. Second Sialic Acid Binding Site in Newcastle Disease Virus Hemagglutinin-Neuraminidase: Implications For Fusion J.Virol. V. 78 3733 2004.
ISSN: ISSN 0022-538X
PubMed: 15016893
DOI: 10.1128/JVI.78.7.3733-3741.2004