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Calcium in PDB 3w09: Influenza Virus Neuraminidase Subtype N9 (Tern) Complexed with 2,3-Dif Guanidino-NEU5AC2EN Inhibitor

Enzymatic activity of Influenza Virus Neuraminidase Subtype N9 (Tern) Complexed with 2,3-Dif Guanidino-NEU5AC2EN Inhibitor

All present enzymatic activity of Influenza Virus Neuraminidase Subtype N9 (Tern) Complexed with 2,3-Dif Guanidino-NEU5AC2EN Inhibitor:
3.2.1.18;

Protein crystallography data

The structure of Influenza Virus Neuraminidase Subtype N9 (Tern) Complexed with 2,3-Dif Guanidino-NEU5AC2EN Inhibitor, PDB code: 3w09 was solved by V.A.Streltsov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.66 / 2.00
Space group I 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 180.836, 180.836, 180.836, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 18.9

Other elements in 3w09:

The structure of Influenza Virus Neuraminidase Subtype N9 (Tern) Complexed with 2,3-Dif Guanidino-NEU5AC2EN Inhibitor also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Influenza Virus Neuraminidase Subtype N9 (Tern) Complexed with 2,3-Dif Guanidino-NEU5AC2EN Inhibitor (pdb code 3w09). 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 Influenza Virus Neuraminidase Subtype N9 (Tern) Complexed with 2,3-Dif Guanidino-NEU5AC2EN Inhibitor, PDB code: 3w09:

Calcium binding site 1 out of 1 in 3w09

Go back to Calcium Binding Sites List in 3w09
Calcium binding site 1 out of 1 in the Influenza Virus Neuraminidase Subtype N9 (Tern) Complexed with 2,3-Dif Guanidino-NEU5AC2EN Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza Virus Neuraminidase Subtype N9 (Tern) Complexed with 2,3-Dif Guanidino-NEU5AC2EN Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca521

b:35.6
occ:1.00
 O A:ASP293 2.6 37.0 1.0
O A:GLY297 2.6 38.5 1.0
O A:ASN347 2.6 37.4 1.0
OD2 A:ASP324 2.7 31.2 1.0
O A:HOH832 2.8 32.5 1.0
O A:HOH763 2.8 35.6 1.0
CG A:ASP324 3.6 33.8 1.0
C A:GLY297 3.7 33.4 1.0
C A:ASP293 3.8 29.9 1.0
C A:ASN347 3.8 35.2 1.0
CA A:GLY348 3.9 34.9 1.0
O A:HOH613 4.0 31.2 1.0
CA A:ASN294 4.1 31.3 1.0
CB A:ASP324 4.2 32.5 1.0
O A:ASN294 4.2 33.3 1.0
C A:ASN294 4.3 36.6 1.0
OD1 A:ASN344 4.3 56.9 1.0
N A:GLY297 4.4 41.9 1.0
N A:GLY348 4.4 33.6 1.0
OD1 A:ASP324 4.4 32.8 1.0
N A:ASN294 4.4 31.7 1.0
CA A:GLY297 4.6 36.0 1.0
N A:SER298 4.6 29.0 1.0
CA A:SER298 4.6 31.8 1.0
N A:ASN347 4.8 34.7 1.0
CA A:ASP293 4.8 32.5 1.0
OG A:SER298 4.9 34.0 1.0
C A:GLN296 4.9 43.7 1.0
N A:ASP293 4.9 31.1 1.0
CA A:ASN347 5.0 33.8 1.0

Reference:

J.-H.Kim, R.Resende, T.Wennekes, H.M.Chen, N.Bance, S.Buchini, A.G.Watts, P.Pilling, V.A.Streltsov, M.Petric, R.Liggins, S.Barrett, J.L.Mckimm-Breschkin, M.Niikura, S.G.Withers. Mechanism-Based Covalent Neuraminidase Inhibitors with Broad-Spectrum Influenza Antiviral Activity Science V. 340 71 2013.
ISSN: ISSN 0036-8075
PubMed: 23429702
DOI: 10.1126/SCIENCE.1232552
Page generated: Sat Jul 13 20:55:28 2024

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