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Calcium in PDB 2qwi: The X-Ray Structure of A Complex of N-Acetyl-4-Guanidino-6- Methyl(Propyl)Carboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and Wildtype Tern N9 Influenza Virus Neuraminidase

Enzymatic activity of The X-Ray Structure of A Complex of N-Acetyl-4-Guanidino-6- Methyl(Propyl)Carboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and Wildtype Tern N9 Influenza Virus Neuraminidase

All present enzymatic activity of The X-Ray Structure of A Complex of N-Acetyl-4-Guanidino-6- Methyl(Propyl)Carboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and Wildtype Tern N9 Influenza Virus Neuraminidase:
3.2.1.18;

Protein crystallography data

The structure of The X-Ray Structure of A Complex of N-Acetyl-4-Guanidino-6- Methyl(Propyl)Carboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and Wildtype Tern N9 Influenza Virus Neuraminidase, PDB code: 2qwi 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 (°) 182.800, 182.800, 182.800, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the The X-Ray Structure of A Complex of N-Acetyl-4-Guanidino-6- Methyl(Propyl)Carboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and Wildtype Tern N9 Influenza Virus Neuraminidase (pdb code 2qwi). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the The X-Ray Structure of A Complex of N-Acetyl-4-Guanidino-6- Methyl(Propyl)Carboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and Wildtype Tern N9 Influenza Virus Neuraminidase, PDB code: 2qwi:

Calcium binding site 1 out of 1 in 2qwi

Go back to Calcium Binding Sites List in 2qwi
Calcium binding site 1 out of 1 in the The X-Ray Structure of A Complex of N-Acetyl-4-Guanidino-6- Methyl(Propyl)Carboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and Wildtype 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 N-Acetyl-4-Guanidino-6- Methyl(Propyl)Carboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and Wildtype Tern N9 Influenza Virus Neuraminidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca999

b:44.8
occ:1.00
 O A:HOH1090G 2.5 55.3 1.0
O A:ASP293 2.5 38.9 1.0
O A:ASN347 2.6 45.6 1.0
O A:GLY297 2.6 43.2 1.0
O A:HOH1007W 2.7 43.2 1.0
OD2 A:ASP324 2.9 34.4 1.0
CG A:ASP324 3.6 33.9 1.0
C A:ASP293 3.7 38.9 1.0
C A:ASN347 3.8 45.8 1.0
C A:GLY297 3.8 43.1 1.0
CA A:ASN294 4.1 41.7 1.0
CA A:GLY348 4.1 41.4 1.0
O A:HOH1006W 4.2 33.5 1.0
C A:ASN294 4.3 42.9 1.0
OD1 A:ASP324 4.3 33.9 1.0
O A:ASN294 4.3 42.8 1.0
CB A:ASP324 4.3 33.7 1.0
N A:ASN294 4.4 40.0 1.0
N A:GLY348 4.4 43.9 1.0
N A:GLY297 4.5 44.8 1.0
OD1 A:ASN344 4.6 56.2 1.0
CA A:GLY297 4.6 43.7 1.0
N A:SER298 4.7 42.4 1.0
CA A:ASP293 4.8 37.9 1.0
CA A:SER298 4.8 41.7 1.0
N A:ASN347 4.8 48.7 1.0
N A:TRP295 4.9 44.2 1.0
C A:GLN296 4.9 45.7 1.0
N A:ASP293 4.9 36.3 1.0
CB A:ASP293 4.9 38.4 1.0
CA A:ASN347 4.9 47.2 1.0

Reference:

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
Page generated: Tue Jul 8 08:04:36 2025

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