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Calcium in PDB 2qwj: The X-Ray Structure of A Complex of 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase

Enzymatic activity of The X-Ray Structure of A Complex of 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid 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 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase:
3.2.1.18;

Protein crystallography data

The structure of The X-Ray Structure of A Complex of 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase, PDB code: 2qwj 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 (°) 180.860, 180.860, 180.860, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the The X-Ray Structure of A Complex of 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase (pdb code 2qwj). 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 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid and A Drug Resistant Variant R292K of Tern N9 Influenza Virus Neuraminidase, PDB code: 2qwj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 2qwj

Go back to Calcium Binding Sites List in 2qwj
Calcium binding site 1 out of 2 in the The X-Ray Structure of A Complex of 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid 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 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid 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:19.8
occ:1.00
 O A:GLY297 2.4 23.9 1.0
O A:ASP293 2.5 21.5 1.0
O A:ASN347 2.6 23.3 1.0
O A:HOH1088G 2.6 22.6 1.0
O A:HOH1007W 2.7 17.0 1.0
OD2 A:ASP324 2.7 17.6 1.0
CG A:ASP324 3.5 18.4 1.0
C A:GLY297 3.6 24.1 1.0
C A:ASP293 3.6 21.9 1.0
C A:ASN347 3.8 23.1 1.0
O A:HOH1219K 4.0 41.0 1.0
O A:HOH1006W 4.0 12.2 1.0
CA A:GLY348 4.1 20.9 1.0
CA A:ASN294 4.1 23.0 1.0
O A:ASN294 4.1 24.2 1.0
CB A:ASP324 4.2 18.5 1.0
OD1 A:ASP324 4.3 18.1 1.0
C A:ASN294 4.3 23.8 1.0
N A:ASN294 4.3 22.0 1.0
N A:SER298 4.4 23.2 1.0
N A:GLY348 4.4 21.9 1.0
CA A:SER298 4.5 23.0 1.0
CA A:GLY297 4.5 24.3 1.0
N A:GLY297 4.5 25.6 1.0
CA A:ASP293 4.7 21.9 1.0
N A:ASP293 4.7 21.5 1.0
N A:ASN347 4.9 24.2 1.0
O A:ASN344 4.9 27.2 1.0
OG A:SER298 4.9 22.6 1.0
C A:GLN296 4.9 25.9 1.0
CB A:ASP293 5.0 22.3 1.0
CA A:ASN347 5.0 23.7 1.0

Calcium binding site 2 out of 2 in 2qwj

Go back to Calcium Binding Sites List in 2qwj
Calcium binding site 2 out of 2 in the The X-Ray Structure of A Complex of 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid 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 5-N-Acetyl-4-Amino-6- Diethylcarboxamide-4,5-Dihydro-2H-Pyran-2-Carboxylic Acid 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:27.5
occ:0.25
 O A:HOH1306P 2.5 63.5 1.0
O A:HOH1053W 2.5 68.5 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: Fri Jul 12 15:43:42 2024

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