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Calcium in PDB 6heb: Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern).

Enzymatic activity of Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern).

All present enzymatic activity of Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern).:
3.2.1.18;

Protein crystallography data

The structure of Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern)., PDB code: 6heb was solved by M.T.Salinger, J.R.Hobbs, J.W.Murray, W.G.Laver, P.Kuhn, E.F.Garman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.97 / 1.75
Space group I 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 180.691, 180.691, 180.691, 90.00, 90.00, 90.00
R / Rfree (%) 11.9 / 14.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern). (pdb code 6heb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern)., PDB code: 6heb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 6heb

Go back to Calcium Binding Sites List in 6heb
Calcium binding site 1 out of 2 in the Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca514

b:24.2
occ:0.20
O A:HOH712 2.8 21.8 1.0
O A:HOH1016 2.8 56.6 0.2
O A:HOH861 3.8 12.9 1.0
OD2 A:ASP114 4.7 11.9 1.0
OD1 A:ASP114 4.8 12.3 1.0

Calcium binding site 2 out of 2 in 6heb

Go back to Calcium Binding Sites List in 6heb
Calcium binding site 2 out of 2 in the Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern).


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Influenza A Virus N9 Neuraminidase Complex with Oseltamivir (Tern). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca515

b:14.5
occ:1.00
O A:GLY299 2.5 15.1 1.0
O A:ASP295 2.6 13.8 1.0
O A:HOH616 2.6 16.1 1.0
OD2 A:ASP326 2.6 13.4 1.0
O A:ASN348 2.7 12.1 1.0
O A:HOH804 2.8 14.8 1.0
CG A:ASP326 3.6 12.0 1.0
C A:ASP295 3.6 12.1 1.0
C A:GLY299 3.7 13.7 1.0
C A:ASN348 3.8 13.9 1.0
O A:HOH975 3.9 19.3 1.0
CA A:GLY349 4.0 11.8 1.0
O A:HOH720 4.0 10.9 1.0
CA A:ASN296 4.1 12.3 1.0
CB A:ASP326 4.2 11.8 1.0
N A:ASN296 4.3 12.4 1.0
C A:ASN296 4.3 13.7 1.0
OD1 A:ASP326 4.4 11.6 1.0
N A:GLY299 4.4 14.4 1.0
N A:GLY349 4.4 13.0 1.0
CA A:SER300 4.5 12.2 1.0
N A:SER300 4.5 12.7 1.0
O A:ASN296 4.5 14.8 1.0
CA A:GLY299 4.6 14.4 1.0
CA A:ASP295 4.7 12.6 1.0
OG A:SER300 4.7 13.2 1.0
N A:ASP295 4.8 12.7 1.0
O A:PRO328 4.9 17.5 1.0
O A:ASN345 5.0 15.7 1.0
N A:ASN348 5.0 14.5 1.0

Reference:

M.T.Salinger, J.R.Hobbs, J.W.Murray, W.G.Laver, P.Kuhn, E.F.Garman. High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. To Be Published.
Page generated: Tue Jul 16 08:20:29 2024

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