Atomistry » Calcium » PDB 4m93-4mpp » 4mjv
Atomistry »
  Calcium »
    PDB 4m93-4mpp »
      4mjv »

Calcium in PDB 4mjv: Influenza Neuraminidase in Complex with A Novel Antiviral Compound

Enzymatic activity of Influenza Neuraminidase in Complex with A Novel Antiviral Compound

All present enzymatic activity of Influenza Neuraminidase in Complex with A Novel Antiviral Compound:
3.2.1.18;

Protein crystallography data

The structure of Influenza Neuraminidase in Complex with A Novel Antiviral Compound, PDB code: 4mjv was solved by P.S.Kerry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.66 / 2.65
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 90.744, 90.744, 112.002, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 28.5

Calcium Binding Sites:

The binding sites of Calcium atom in the Influenza Neuraminidase in Complex with A Novel Antiviral Compound (pdb code 4mjv). 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 Neuraminidase in Complex with A Novel Antiviral Compound, PDB code: 4mjv:

Calcium binding site 1 out of 1 in 4mjv

Go back to Calcium Binding Sites List in 4mjv
Calcium binding site 1 out of 1 in the Influenza Neuraminidase in Complex with A Novel Antiviral Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Influenza Neuraminidase in Complex with A Novel Antiviral Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:39.2
occ:1.00
O A:TYR347 2.2 17.8 1.0
O A:ASP293 2.2 18.9 1.0
OD1 A:ASP324 2.3 16.5 1.0
O A:HOH660 2.3 22.7 1.0
O A:GLY297 2.6 15.4 1.0
C A:TYR347 3.2 19.1 1.0
CG A:ASP324 3.5 21.3 1.0
C A:ASP293 3.5 17.9 1.0
CA A:GLY348 3.5 18.2 1.0
N A:GLY348 3.7 23.4 1.0
C A:GLY297 3.8 20.6 1.0
O A:GLY346 3.8 27.6 1.0
C A:GLY346 4.1 24.7 1.0
CA A:ASN294 4.2 15.7 1.0
O A:GLN345 4.2 15.7 1.0
CB A:ASP324 4.2 17.9 1.0
N A:ASN294 4.3 17.6 1.0
OD2 A:ASP324 4.4 17.2 1.0
CA A:TYR347 4.4 21.9 1.0
N A:TYR347 4.5 21.3 1.0
CA A:ASP293 4.6 15.5 1.0
N A:GLY297 4.6 22.1 1.0
CA A:THR298 4.6 17.4 1.0
N A:THR298 4.6 26.2 1.0
OD2 A:ASP293 4.7 14.5 1.0
CA A:GLY297 4.7 21.5 1.0
O A:PRO326 4.8 20.7 1.0
C A:ASN294 4.8 19.4 1.0
CB A:ASP293 4.8 19.9 1.0
N A:ASP293 4.8 14.9 1.0
CA A:GLY346 4.9 20.6 1.0
C A:GLY348 5.0 18.5 1.0

Reference:

S.Mohan, P.S.Kerry, N.Bance, M.Niikura, B.M.Pinto. Serendipitous Discovery of A Potent Influenza Virus A Neuraminidase Inhibitor. Angew.Chem.Int.Ed.Engl. V. 53 1076 2014.
ISSN: ISSN 1433-7851
PubMed: 24339250
DOI: 10.1002/ANIE.201308142
Page generated: Sun Jul 14 10:25:28 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy