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Calcium in PDB 1bji: The X-Ray Structure of A Complex of Tern N9 Influenza Virus Neuraminidase Complexed with the Glaxo 6-Carboxamide Sialic Acid Analogue GR217029

Enzymatic activity of The X-Ray Structure of A Complex of Tern N9 Influenza Virus Neuraminidase Complexed with the Glaxo 6-Carboxamide Sialic Acid Analogue GR217029

All present enzymatic activity of The X-Ray Structure of A Complex of Tern N9 Influenza Virus Neuraminidase Complexed with the Glaxo 6-Carboxamide Sialic Acid Analogue GR217029:
3.2.1.18;

Protein crystallography data

The structure of The X-Ray Structure of A Complex of Tern N9 Influenza Virus Neuraminidase Complexed with the Glaxo 6-Carboxamide Sialic Acid Analogue GR217029, PDB code: 1bji 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 (%) 15.5 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the The X-Ray Structure of A Complex of Tern N9 Influenza Virus Neuraminidase Complexed with the Glaxo 6-Carboxamide Sialic Acid Analogue GR217029 (pdb code 1bji). 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 Tern N9 Influenza Virus Neuraminidase Complexed with the Glaxo 6-Carboxamide Sialic Acid Analogue GR217029, PDB code: 1bji:

Calcium binding site 1 out of 1 in 1bji

Go back to Calcium Binding Sites List in 1bji
Calcium binding site 1 out of 1 in the The X-Ray Structure of A Complex of Tern N9 Influenza Virus Neuraminidase Complexed with the Glaxo 6-Carboxamide Sialic Acid Analogue GR217029


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 Tern N9 Influenza Virus Neuraminidase Complexed with the Glaxo 6-Carboxamide Sialic Acid Analogue GR217029 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca478

b:21.1
occ:1.00
 O A:HOH570 2.3 27.4 1.0
O A:GLY297 2.5 23.9 1.0
O A:ASP293 2.5 19.4 1.0
O A:ASN347 2.6 26.6 1.0
OD2 A:ASP324 2.7 17.7 1.0
O A:HOH487 2.7 18.9 1.0
CG A:ASP324 3.6 17.5 1.0
C A:ASP293 3.7 19.4 1.0
C A:GLY297 3.7 23.8 1.0
C A:ASN347 3.8 26.6 1.0
O A:HOH486 4.1 8.9 1.0
CA A:GLY348 4.1 23.3 1.0
CA A:ASN294 4.1 21.1 1.0
CB A:ASP324 4.2 17.6 1.0
C A:ASN294 4.3 21.9 1.0
O A:ASN294 4.3 21.9 1.0
N A:ASN294 4.4 19.9 1.0
OD1 A:ASP324 4.4 17.5 1.0
N A:GLY348 4.4 25.2 1.0
N A:GLY297 4.4 24.7 1.0
OD1 A:ASN344 4.5 35.9 1.0
CA A:GLY297 4.6 24.2 1.0
N A:SER298 4.6 23.4 1.0
CA A:SER298 4.7 22.9 1.0
CA A:ASP293 4.8 18.8 1.0
N A:ASN347 4.8 28.7 1.0
N A:ASP293 4.9 18.3 1.0
N A:TRP295 4.9 23.0 1.0
CA A:ASN347 4.9 27.6 1.0
CB A:ASP293 4.9 18.8 1.0
C A:GLN296 4.9 25.4 1.0

Reference:

N.R.Taylor, A.Cleasby, O.Singh, T.Skarzynski, A.J.Wonacott, P.W.Smith, S.L.Sollis, P.D.Howes, P.C.Cherry, R.Bethell, P.Colman, J.Varghese. Dihydropyrancarboxamides Related to Zanamivir: A New Series of Inhibitors of Influenza Virus Sialidases. 2. Crystallographic and Molecular Modeling Study of Complexes of 4-Amino-4H-Pyran-6-Carboxamides and Sialidase From Influenza Virus Types A and B. J.Med.Chem. V. 41 798 1998.
ISSN: ISSN 0022-2623
PubMed: 9526556
DOI: 10.1021/JM9703754
Page generated: Thu Jul 11 06:26:37 2024

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