Calcium in PDB 1inv: A Sialic Acid Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies

All present enzymatic activity of A Sialic Acid Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies:
3.2.1.18;

The structure of A Sialic Acid Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies, PDB code: 1inv was solved by C.L.White, M.N.Janakiraman, W.G.Laver, C.Philippon, A.Vasella, G.M.Air, M.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.40
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	124.730, 124.730, 71.880, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / n/a

The binding sites of Calcium atom in the A Sialic Acid Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies (pdb code 1inv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the A Sialic Acid Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies, PDB code: 1inv:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the A Sialic Acid Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of A Sialic Acid Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca468 b:2.0 occ:1.00 H2 A:HOH501 1.7 0.0 1.0 H2 A:HOH502 2.0 0.0 1.0 OD2 A:ASP324 2.3 11.6 1.0 O A:GLY346 2.4 5.3 1.0 O A:HOH502 2.5 20.5 0.9 O A:ASP293 2.5 21.9 0.9 O A:THR297 2.5 6.2 1.0 O A:HOH501 2.5 27.3 1.0 H1 A:HOH501 2.8 0.0 1.0 H1 A:HOH502 3.0 0.0 1.0 CG A:ASP324 3.4 3.9 1.0 H1 A:HOH577 3.5 0.0 1.0 H2 A:HOH577 3.6 0.0 1.0 C A:GLY346 3.6 5.1 0.9 C A:THR297 3.7 20.4 1.0 C A:ASP293 3.7 4.4 1.0 O A:TRP344 3.8 27.4 0.9 O A:HOH577 3.9 3.8 0.7 H A:THR297 4.0 0.0 1.0 CA A:GLY347 4.0 10.3 1.0 H A:ASP293 4.1 0.0 1.0 CA A:ALA298 4.2 2.0 1.0 CB A:ASP324 4.2 6.6 1.0 H A:GLY346 4.3 0.0 1.0 N A:GLY347 4.3 2.0 1.0 OD1 A:ASP324 4.3 19.7 1.0 CA A:ASN294 4.3 4.5 1.0 N A:ALA298 4.4 17.7 1.0 C A:ASN294 4.5 2.0 1.0 N A:ASN294 4.5 2.0 1.0 N A:GLY346 4.6 4.7 0.9 O A:ASN294 4.7 8.4 0.9 N A:THR297 4.7 25.1 1.0 N A:ASP293 4.8 28.0 1.0 CA A:GLY346 4.8 4.2 0.9 CA A:ASP293 4.8 2.3 1.0 O A:LYS343 4.8 13.1 0.9 CA A:THR297 4.8 13.4 1.0 N A:SER295 4.9 12.9 0.9 O A:PRO326 4.9 2.7 1.0 CB A:ASP293 4.9 2.0 0.9 C A:TRP344 4.9 28.4 0.9 H A:SER295 5.0 0.0 1.0

Calcium binding site 2 out of 2 in the A Sialic Acid Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of A Sialic Acid Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca469 b:30.2 occ:0.25 OE1 A:GLU168 2.3 18.5 0.9 CD A:GLU168 3.5 3.2 0.9 OE2 A:GLU168 4.1 15.8 0.9 CG A:GLU168 4.6 3.2 0.9 CB A:GLU168 4.7 18.6 0.9 H1 A:HOH512 4.8 0.0 1.0

C.L.White, M.N.Janakiraman, W.G.Laver, C.Philippon, A.Vasella, G.M.Air, M.Luo. A Sialic Acid-Derived Phosphonate Analog Inhibits Different Strains of Influenza Virus Neuraminidase with Different Efficiencies. J.Mol.Biol. V. 245 623 1995.
ISSN: ISSN 0022-2836
PubMed: 7844831
DOI: 10.1006/JMBI.1994.0051