Atomistry » Magnesium » PDB 4jty-4k5p » 4ju6
Atomistry »
  Magnesium »
    PDB 4jty-4k5p »
      4ju6 »

Magnesium in PDB 4ju6: Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24

Enzymatic activity of Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24

All present enzymatic activity of Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24:
2.7.7.48; 3.4.21.98; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24, PDB code: 4ju6 was solved by R.Coulombe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 106.840, 108.070, 135.330, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24 (pdb code 4ju6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24, PDB code: 4ju6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4ju6

Go back to Magnesium Binding Sites List in 4ju6
Magnesium binding site 1 out of 2 in the Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:57.6
occ:1.00
O A:HOH793 2.5 37.0 1.0
OD1 A:ASP220 2.5 37.0 1.0
O A:THR221 2.5 35.9 1.0
O A:HOH779 2.6 42.2 1.0
CG A:ASP220 3.6 34.6 1.0
C A:THR221 3.6 33.4 1.0
N A:THR221 3.7 30.6 1.0
OD2 A:ASP220 4.2 37.5 1.0
CA A:THR221 4.2 30.8 1.0
OD2 A:ASP318 4.2 34.4 1.0
C A:ASP220 4.3 30.1 1.0
CA A:ASP220 4.5 28.8 1.0
CB A:ASP220 4.6 31.8 1.0
N A:CYS223 4.6 34.2 1.0
CG A:ASP318 4.6 35.8 1.0
N A:ARG222 4.7 35.0 1.0
CB A:THR221 4.8 28.2 1.0
N A:PHE224 4.8 29.2 1.0
OD1 A:ASP318 4.8 39.5 1.0
CA A:ARG222 5.0 35.2 1.0

Magnesium binding site 2 out of 2 in 4ju6

Go back to Magnesium Binding Sites List in 4ju6
Magnesium binding site 2 out of 2 in the Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Hcv NS5B Polymerase in Complex with Compound 24 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:75.3
occ:1.00
OD1 B:ASP220 2.7 46.2 1.0
O B:HOH785 3.6 39.8 1.0
CG B:ASP220 3.9 46.8 1.0
O B:THR221 4.4 38.0 1.0
OD1 B:ASP318 4.5 42.5 1.0
OD2 B:ASP220 4.7 50.6 1.0
CB B:ASP220 4.8 43.4 1.0

Reference:

T.A.Stammers, R.Coulombe, M.Duplessis, G.Fazal, A.Gagnon, M.Garneau, S.Goulet, A.Jakalian, S.Laplante, J.Rancourt, B.Thavonekham, D.Wernic, G.Kukolj, P.L.Beaulieu. Anthranilic Acid-Based Thumb Pocket 2 Hcv NS5B Polymerase Inhibitors with Sub-Micromolar Potency in the Cell-Based Replicon Assay. Bioorg.Med.Chem.Lett. V. 23 6879 2013.
ISSN: ISSN 0960-894X
PubMed: 24176401
DOI: 10.1016/J.BMCL.2013.09.102
Page generated: Mon Dec 14 19:01:06 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy