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Magnesium in PDB 9fwj: Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079

Enzymatic activity of Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079

All present enzymatic activity of Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079:
2.1.1.56;

Protein crystallography data

The structure of Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079, PDB code: 9fwj was solved by T.Krojer, F.Kozielski, C.Sele, M.Nyblom, S.Z.Fisher, W.Knecht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.15 / 2.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.193, 70.522, 108.654, 90, 90, 90
R / Rfree (%) 21.3 / 25.4

Other elements in 9fwj:

The structure of Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079 (pdb code 9fwj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079, PDB code: 9fwj:

Magnesium binding site 1 out of 1 in 9fwj

Go back to Magnesium Binding Sites List in 9fwj
Magnesium binding site 1 out of 1 in the Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:63.9
occ:1.00
OE2 B:GLU92 2.0 64.5 1.0
OD2 B:ASP273 2.3 59.1 1.0
OD2 B:ASP90 2.4 48.5 1.0
O B:HOH418 2.5 61.7 1.0
OD1 B:ASP90 2.7 48.0 1.0
CG B:ASP90 2.8 46.8 1.0
CD B:GLU92 3.1 61.2 1.0
CG B:ASP273 3.4 56.4 1.0
O B:HOH453 3.5 69.4 1.0
OE1 B:GLU92 3.6 62.7 1.0
CB B:ASP273 4.0 49.9 1.0
CG B:GLU92 4.3 52.9 1.0
CB B:ASP90 4.3 42.9 1.0
OD1 B:ASP273 4.4 57.8 1.0
O B:VAL91 4.5 44.1 1.0
C B:VAL91 5.0 44.1 1.0
O B:HOH401 5.0 57.3 1.0

Reference:

T.Krojer, F.Kozielski, C.Sele, M.Nyblom, S.Z.Fisher, W.Knecht. Ensemble Model of Ligand-Free Sars-Cov-2 NSP10-NSP14 (Exon) and in Complex with Partially Bound VT00079 To Be Published.
Page generated: Sat Aug 16 02:27:37 2025

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