Calcium in PDB 4b7m: H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained By Kinetic and Structural Analysis

The structure of H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained By Kinetic and Structural Analysis, PDB code: 4b7m was solved by E.Van Der Vries, S.G.Vachieri, X.Xiong, J.Liu, P.J.Collins, P.A.Walker, L.F.Haire, A.J.Hay, M.Schutten, A.D.M.E.Osterhaus, S.R.Martin, C.A.B.Boucher, J.J.Skehel, S.J.Gamblin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	95.78 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	118.579, 162.474, 118.941, 90.00, 90.00, 90.00
R / Rfree (%)	20.527 / 23.707

The binding sites of Calcium atom in the H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained By Kinetic and Structural Analysis (pdb code 4b7m). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained By Kinetic and Structural Analysis, PDB code: 4b7m:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained By Kinetic and Structural Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained By Kinetic and Structural Analysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1471 b:15.7 occ:1.00 O A:ASP294 2.3 14.9 1.0 O A:HOH2090 2.3 15.8 1.0 O A:GLY298 2.3 15.7 1.0 O A:ASN344 2.4 16.5 1.0 OD2 A:ASP324 2.4 15.7 1.0 O A:GLY342 2.7 18.0 1.0 C A:GLY298 3.5 15.8 1.0 C A:ASN344 3.5 16.5 1.0 C A:ASP294 3.5 14.8 1.0 CG A:ASP324 3.5 16.1 1.0 C A:GLY342 3.7 17.9 1.0 CA A:GLY345 3.9 15.4 1.0 N A:GLY345 4.1 15.9 1.0 O A:ALA343 4.2 17.2 1.0 CA A:ASN295 4.2 15.1 1.0 O A:HOH2089 4.3 14.0 1.0 N A:SER299 4.3 15.7 1.0 CA A:SER299 4.3 15.6 1.0 OD1 A:ASP324 4.3 16.1 1.0 C A:ALA343 4.3 17.3 1.0 N A:ASN295 4.3 14.9 1.0 CA A:GLY342 4.4 17.9 1.0 N A:GLY298 4.4 16.0 1.0 CB A:ASP324 4.4 16.2 1.0 CA A:GLY298 4.4 15.8 1.0 CA A:ASP294 4.6 14.7 1.0 N A:ASN344 4.6 17.1 1.0 CA A:ASN344 4.6 16.9 1.0 C A:ASN295 4.6 15.3 1.0 N A:ALA343 4.7 17.7 1.0 CB A:ASP294 4.7 14.7 1.0 N A:ASP294 4.8 14.7 1.0 CA A:ALA343 4.9 17.3 1.0 OD1 A:ASP294 4.9 14.9 1.0 O A:ASN295 4.9 15.2 1.0 O A:ASN341 4.9 18.3 1.0 O A:PRO326 4.9 17.6 1.0

Calcium binding site 2 out of 2 in the H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained By Kinetic and Structural Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained By Kinetic and Structural Analysis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1471 b:17.9 occ:1.00 O B:GLY298 2.3 15.0 1.0 O B:ASN344 2.4 17.1 1.0 O B:ASP294 2.4 14.1 1.0 OD2 B:ASP324 2.5 17.7 1.0 O B:GLY342 2.7 18.9 1.0 C B:GLY298 3.4 15.1 1.0 C B:ASN344 3.6 17.1 1.0 C B:GLY342 3.6 18.7 1.0 C B:ASP294 3.6 14.2 1.0 CG B:ASP324 3.6 18.0 1.0 CA B:GLY345 4.1 16.2 1.0 CA B:GLY342 4.1 18.6 1.0 O B:HOH2078 4.2 13.0 1.0 CA B:SER299 4.2 14.7 1.0 N B:SER299 4.2 15.0 1.0 N B:GLY345 4.3 16.8 1.0 O B:ALA343 4.3 17.8 1.0 C B:ALA343 4.4 18.1 1.0 CA B:ASN295 4.4 14.5 1.0 N B:GLY298 4.4 15.0 1.0 CB B:ASP324 4.4 17.9 1.0 N B:ASN295 4.4 14.3 1.0 CA B:GLY298 4.4 15.0 1.0 OD1 B:ASP324 4.4 18.0 1.0 N B:ASN344 4.5 17.8 1.0 N B:ALA343 4.5 18.6 1.0 CA B:ASP294 4.6 14.0 1.0 O B:ASN341 4.6 19.2 1.0 CA B:ASN344 4.7 17.6 1.0 O B:PRO326 4.7 18.5 1.0 CB B:ASP294 4.7 14.0 1.0 C B:ASN295 4.7 14.7 1.0 OD1 B:ASP294 4.8 14.2 1.0 N B:ASP294 4.9 13.8 1.0 CA B:ALA343 4.9 18.3 1.0

E.Van Der Vries, P.J.Collins, S.G.Vachieri, X.Xiong, J.Liu, P.A.Walker, L.F.Haire, A.J.Hay, M.Schutten, A.D.M.E.Osterhaus, S.R.Martin, C.A.B.Boucher, J.J.Skehel, S.J.Gamblin. H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained By Kinetic and Structural Analysis Plos Pathog. V. 8 2914 2012.
ISSN: ISSN 1553-7366
PubMed: 23028314
DOI: 10.1371/JOURNAL.PPAT.1002914