Magnesium in PDB 5e4f: The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action

All present enzymatic activity of The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action:
3.4.21.98; 3.6.1.15; 3.6.4.13;

The structure of The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action, PDB code: 5e4f was solved by M.Gu, C.M.Rice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	95.451, 46.104, 109.041, 90.00, 104.05, 90.00
R / Rfree (%)	21.4 / 25.2

The structure of The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Aluminium	(Al)	2 atoms

The binding sites of Magnesium atom in the The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action (pdb code 5e4f). 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 Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action, PDB code: 5e4f:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg703 b:12.0 occ:1.00 O1B A:ADP702 2.0 7.8 1.0 F1 A:ALF701 2.1 10.6 1.0 O A:HOH839 2.2 8.3 1.0 O A:HOH837 2.3 9.0 1.0 OG A:SER211 2.3 10.7 1.0 O A:HOH908 2.3 5.2 1.0 PB A:ADP702 3.2 9.2 1.0 CB A:SER211 3.3 10.6 1.0 O2B A:ADP702 3.4 6.6 1.0 AL A:ALF701 3.5 15.6 1.0 F3 A:ALF701 3.6 14.2 1.0 OD2 A:ASP290 3.9 16.0 1.0 OE1 A:GLU291 4.0 13.0 1.0 OD1 A:ASP290 4.0 13.2 1.0 N A:SER211 4.0 10.1 1.0 O2A A:ADP702 4.0 14.4 1.0 F4 A:ALF701 4.2 12.2 1.0 O3A A:ADP702 4.2 12.3 1.0 CD A:GLU291 4.2 16.1 1.0 OE2 A:GLU291 4.2 16.1 1.0 O3B A:ADP702 4.3 7.2 1.0 CA A:SER211 4.3 10.5 1.0 O A:HOH854 4.3 4.3 1.0 CG A:ASP290 4.3 11.1 1.0 PA A:ADP702 4.5 14.2 1.0 CE A:LYS210 4.6 5.7 1.0 O1A A:ADP702 4.6 8.9 1.0 CB A:LYS210 4.7 8.6 1.0 CA A:GLY417 4.7 11.6 1.0 CZ A:PHE238 4.8 13.0 1.0 O A:GLY417 4.9 9.6 1.0 C A:LYS210 4.9 10.9 1.0 OD1 A:ASN229 4.9 11.1 1.0 NZ A:LYS210 4.9 3.5 1.0

Magnesium binding site 2 out of 2 in the The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:36.3 occ:1.00 F3 B:ALF701 2.1 22.9 1.0 O3B B:ADP702 2.2 27.7 1.0 O B:HOH859 2.4 21.0 1.0 OG B:SER211 2.4 33.1 1.0 O B:HOH823 2.4 19.3 1.0 O B:HOH845 2.4 42.3 1.0 CB B:SER211 3.4 35.4 1.0 PB B:ADP702 3.4 31.9 1.0 AL B:ALF701 3.5 21.8 1.0 O1B B:ADP702 3.5 25.3 1.0 F1 B:ALF701 3.6 22.6 1.0 OE1 B:GLU291 3.8 23.0 1.0 O1A B:ADP702 3.9 34.7 1.0 OD2 B:ASP290 4.0 26.5 1.0 OD1 B:ASP290 4.0 29.8 1.0 N B:SER211 4.0 34.4 1.0 F2 B:ALF701 4.1 22.8 1.0 CG B:ASP290 4.2 26.0 1.0 O3A B:ADP702 4.3 31.2 1.0 CA B:SER211 4.3 35.3 1.0 O2B B:ADP702 4.5 29.4 1.0 PA B:ADP702 4.5 32.0 1.0 CD B:GLU291 4.5 23.6 1.0 O B:HOH835 4.5 17.6 1.0 O2A B:ADP702 4.6 34.6 1.0 CA B:GLY417 4.6 24.9 1.0 CB B:LYS210 4.6 33.5 1.0 CZ B:PHE238 4.7 36.5 1.0 CE B:LYS210 4.8 34.8 1.0 O B:GLY417 4.8 26.4 1.0 C B:LYS210 4.9 34.3 1.0 OD1 B:ASN229 4.9 25.4 1.0 OE2 B:GLU291 5.0 26.9 1.0

M.Gu, C.M.Rice. The Spring Alpha-Helix Coordinates Multiple Modes of Hcv (Hepatitis C Virus) NS3 Helicase Action. J.Biol.Chem. V. 291 14499 2016.
ISSN: ESSN 1083-351X
PubMed: 27226535
DOI: 10.1074/JBC.M115.704379