Aluminium 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
Magnesium	(Mg)	2 atoms

The binding sites of Aluminium 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 Aluminium atom.
In total 2 binding sites of Aluminium where determined in the The Spring Alpha-Helix Coordinates Multiple Modes of Hcv NS3 Helicase Action, PDB code: 5e4f:
Jump to Aluminium binding site number: 1; 2;

Aluminium 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 Aluminium with other atoms in the Al 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:Al701 b:15.6 occ:1.00 AL A:ALF701 0.0 15.6 1.0 F1 A:ALF701 1.6 10.6 1.0 F2 A:ALF701 1.6 15.2 1.0 F4 A:ALF701 1.6 12.2 1.0 F3 A:ALF701 1.6 14.2 1.0 O2B A:ADP702 2.0 6.6 1.0 O A:HOH854 2.0 4.3 1.0 PB A:ADP702 3.3 9.2 1.0 MG A:MG703 3.5 12.0 1.0 O1B A:ADP702 3.6 7.8 1.0 NH2 A:ARG464 3.8 8.9 1.0 N A:GLY207 4.0 8.7 1.0 O A:HOH837 4.0 9.0 1.0 O A:HOH897 4.0 1.0 1.0 OE1 A:GLU291 4.0 13.0 1.0 NH2 A:ARG467 4.0 7.3 1.0 NZ A:LYS210 4.1 3.5 1.0 NH1 A:ARG467 4.1 7.6 1.0 NH1 A:ARG464 4.2 6.3 1.0 O3B A:ADP702 4.2 7.2 1.0 CA A:THR206 4.2 8.2 1.0 O A:HOH839 4.2 8.3 1.0 O3A A:ADP702 4.3 12.3 1.0 CA A:GLY417 4.4 11.6 1.0 CZ A:ARG464 4.5 9.3 1.0 OE1 A:GLN460 4.5 9.7 1.0 CZ A:ARG467 4.5 7.8 1.0 O A:HOH908 4.5 5.2 1.0 CB A:THR206 4.6 8.3 1.0 CE A:LYS210 4.6 5.7 1.0 C A:THR206 4.6 10.7 1.0 OE2 A:GLU291 4.6 16.1 1.0 CG2 A:THR206 4.7 6.8 1.0 CD A:GLU291 4.7 16.1 1.0 CA A:GLY207 5.0 10.5 1.0

Aluminium 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 Aluminium with other atoms in the Al 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:Al701 b:21.8 occ:1.00 AL B:ALF701 0.0 21.8 1.0 F3 B:ALF701 1.6 22.9 1.0 F1 B:ALF701 1.6 22.6 1.0 F2 B:ALF701 1.6 22.8 1.0 F4 B:ALF701 1.6 22.9 1.0 O1B B:ADP702 2.0 25.3 1.0 O B:HOH835 2.2 17.6 1.0 PB B:ADP702 3.3 31.9 1.0 MG B:MG703 3.5 36.3 1.0 O3B B:ADP702 3.6 27.7 1.0 NH2 B:ARG464 3.8 13.4 1.0 NH2 B:ARG467 3.9 19.9 1.0 OE1 B:GLU291 4.0 23.0 1.0 N B:GLY207 4.0 24.6 1.0 O B:HOH859 4.0 21.0 1.0 O B:HOH868 4.0 20.7 1.0 NH1 B:ARG467 4.0 15.8 1.0 CA B:GLY417 4.1 24.9 1.0 NH1 B:ARG464 4.2 17.3 1.0 O3A B:ADP702 4.3 31.2 1.0 CA B:THR206 4.3 24.1 1.0 O2B B:ADP702 4.3 29.4 1.0 O B:HOH845 4.3 42.3 1.0 NZ B:LYS210 4.3 33.5 1.0 CZ B:ARG467 4.4 20.4 1.0 CZ B:ARG464 4.4 15.2 1.0 CB B:THR206 4.5 23.9 1.0 OE1 B:GLN460 4.5 17.7 1.0 O B:HOH823 4.6 19.3 1.0 C B:THR206 4.7 25.3 1.0 O1A B:ADP702 4.8 34.7 1.0 CE B:LYS210 4.8 34.8 1.0 CD B:GLU291 4.9 23.6 1.0 N B:GLY417 4.9 25.7 1.0 CG2 B:THR206 4.9 23.1 1.0 OE2 B:GLU291 4.9 26.9 1.0 CA B:GLY207 4.9 26.3 1.0 C B:GLY417 4.9 25.7 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