Magnesium in PDB 3rvb: The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479

All present enzymatic activity of The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479:
3.6.4.13;

The structure of The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479, PDB code: 3rvb was solved by O.Mather, R.Cheng, D.Schonfield, J.Barker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.82 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.354, 92.354, 104.462, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 28.7

The structure of The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479 (pdb code 3rvb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479, PDB code: 3rvb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2 b:34.2 occ:0.50 O A:HOH38 2.2 42.9 1.0 OD1 A:ASN387 2.8 47.1 1.0 N A:ALA388 3.6 52.1 1.0 CA A:ASN387 3.7 50.1 1.0 O A:ALA388 3.8 53.6 1.0 CG A:ASN387 3.9 47.7 1.0 O A:LEU386 4.1 50.4 1.0 C A:ASN387 4.1 51.4 1.0 CB A:ASN387 4.3 49.2 1.0 OG A:SER382 4.4 49.5 1.0 C A:ALA388 4.6 53.3 1.0 CA A:ALA388 4.6 52.7 1.0 N A:ASN387 4.6 49.5 1.0 C A:LEU386 4.8 50.0 1.0

Magnesium binding site 2 out of 2 in the The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of Hcv NS3 Helicase (Heli-80) Bound with Inhibitor Itmn- 3479 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3 b:22.1 occ:1.00 O A:HOH77 3.1 35.9 1.0 OG1 A:THR212 3.1 33.6 1.0 N A:SER211 3.4 28.9 1.0 N A:GLY209 3.4 33.2 1.0 C A:GLY209 3.6 29.9 1.0 CA A:GLY209 3.6 30.9 1.0 N A:LYS210 3.7 29.1 1.0 C A:GLY207 3.8 35.1 1.0 CG2 A:THR212 3.9 32.0 1.0 CB A:SER211 3.9 30.6 1.0 CA A:GLY207 3.9 35.0 1.0 N A:THR212 3.9 32.1 1.0 O A:GLY207 4.0 36.1 1.0 CA A:SER211 4.0 30.4 1.0 CB A:THR212 4.0 34.3 1.0 O A:GLY209 4.1 30.2 1.0 N A:SER208 4.2 34.9 1.0 N A:GLY207 4.2 36.9 1.0 C A:SER211 4.2 31.8 1.0 OG A:SER211 4.2 34.8 1.0 C A:LYS210 4.4 28.9 1.0 CA A:LYS210 4.5 27.7 1.0 C A:SER208 4.6 33.7 1.0 CA A:THR212 4.6 33.4 1.0 CG A:LYS210 4.7 26.0 1.0 CA A:SER208 5.0 34.1 1.0

O.Mather, R.Cheng, D.Schonfield, J.Barker. The Structure of Hcv NS3 Helicase with Inhibitor Itmn-3479 To Be Published.