Calcium in PDB 2qwd: The X-Ray Structure of A Complex of 4-Amino-NEU5AC2EN and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase

All present enzymatic activity of The X-Ray Structure of A Complex of 4-Amino-NEU5AC2EN and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase:
3.2.1.18;

The structure of The X-Ray Structure of A Complex of 4-Amino-NEU5AC2EN and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase, PDB code: 2qwd was solved by J.N.Varghese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.00
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.900, 180.900, 180.900, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / n/a

The binding sites of Calcium atom in the The X-Ray Structure of A Complex of 4-Amino-NEU5AC2EN and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase (pdb code 2qwd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The X-Ray Structure of A Complex of 4-Amino-NEU5AC2EN and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase, PDB code: 2qwd:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The X-Ray Structure of A Complex of 4-Amino-NEU5AC2EN and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The X-Ray Structure of A Complex of 4-Amino-NEU5AC2EN and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca999 b:17.6 occ:1.00 O A:GLY297 2.4 19.1 1.0 O A:ASP293 2.5 16.2 1.0 O A:ASN347 2.6 20.8 1.0 O A:HOH1088G 2.6 20.5 1.0 OD2 A:ASP324 2.7 13.4 1.0 O A:HOH1007W 2.8 11.1 1.0 C A:GLY297 3.6 19.3 1.0 C A:ASP293 3.6 16.6 1.0 CG A:ASP324 3.6 13.7 1.0 C A:ASN347 3.7 20.5 1.0 O A:ASN294 3.9 18.8 1.0 O A:HOH1006W 4.0 6.4 1.0 CA A:GLY348 4.0 18.5 1.0 CA A:ASN294 4.0 18.0 1.0 O A:HOH1217K 4.1 27.6 1.0 C A:ASN294 4.2 18.6 1.0 N A:ASN294 4.2 16.6 1.0 CB A:ASP324 4.3 13.6 1.0 N A:GLY348 4.4 19.6 1.0 N A:GLY297 4.4 20.5 1.0 OD1 A:ASP324 4.4 13.1 1.0 CA A:GLY297 4.4 19.6 1.0 N A:SER298 4.5 18.4 1.0 CA A:SER298 4.7 17.7 1.0 CA A:ASP293 4.7 16.5 1.0 N A:ASP293 4.7 15.9 1.0 N A:ASN347 4.8 21.2 1.0 C A:GLN296 4.9 20.6 1.0 CA A:ASN347 4.9 20.9 1.0 CB A:ASP293 5.0 16.7 1.0 O A:ASN344 5.0 22.4 1.0

Calcium binding site 2 out of 2 in the The X-Ray Structure of A Complex of 4-Amino-NEU5AC2EN and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The X-Ray Structure of A Complex of 4-Amino-NEU5AC2EN and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca989 b:4.4 occ:0.25 O A:HOH1304P 2.4 36.5 1.0 O A:HOH1392T 3.1 28.1 1.0 O A:HOH1315Q 3.6 95.0 1.0 OD2 A:ASP113 4.8 14.8 1.0 OD1 A:ASP113 5.0 14.6 1.0

J.N.Varghese, P.W.Smith, S.L.Sollis, T.J.Blick, A.Sahasrabudhe, J.L.Mckimm-Breschkin, P.M.Colman. Drug Design Against A Shifting Target: A Structural Basis For Resistance to Inhibitors in A Variant of Influenza Virus Neuraminidase. Structure V. 6 735 1998.
ISSN: ISSN 0969-2126
PubMed: 9655825
DOI: 10.1016/S0969-2126(98)00075-6