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Magnesium in PDB 3kql: Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism

Enzymatic activity of Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism

All present enzymatic activity of Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism:
3.4.21.98; 3.6.1.15;

Protein crystallography data

The structure of Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism, PDB code: 3kql 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 / 2.50
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 43.535, 75.315, 144.229, 90.00, 90.16, 90.00
R / Rfree (%) 18.4 / 21.1

Other elements in 3kql:

The structure of Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism also contains other interesting chemical elements:

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

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism (pdb code 3kql). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism, PDB code: 3kql:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3kql

Go back to Magnesium Binding Sites List in 3kql
Magnesium binding site 1 out of 2 in the Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg3

b:18.7
occ:1.00
 O3B A:ADP2 2.0 16.5 1.0
F1 A:ALF1 2.1 25.4 1.0
OG A:SER211 2.2 17.8 1.0
O A:HOH627 2.3 15.5 1.0
O A:HOH4 2.4 12.8 1.0
O A:HOH628 2.4 21.5 1.0
PB A:ADP2 3.2 18.4 1.0
CB A:SER211 3.2 18.9 1.0
O2B A:ADP2 3.3 11.9 1.0
F3 A:ALF1 3.3 23.0 1.0
AL A:ALF1 3.4 26.5 1.0
OD1 A:ASP290 3.9 33.8 1.0
O2A A:ADP2 3.9 22.7 1.0
OE1 A:GLU291 4.0 21.1 1.0
N A:SER211 4.0 17.7 1.0
O3A A:ADP2 4.1 18.5 1.0
CA A:SER211 4.2 18.9 1.0
F4 A:ALF1 4.2 26.1 1.0
O1B A:ADP2 4.2 15.6 1.0
CG A:ASP290 4.3 29.8 1.0
CA A:GLY417 4.3 21.3 1.0
O A:HOH57 4.3 33.1 1.0
PA A:ADP2 4.4 23.3 1.0
OD2 A:ASP290 4.4 30.0 1.0
O A:HOH626 4.4 22.5 1.0
NZ A:LYS210 4.6 17.9 1.0
O1A A:ADP2 4.6 20.9 1.0
OD1 A:ASN229 4.8 21.3 1.0
CZ A:PHE238 4.8 25.0 1.0
CB A:LYS210 4.8 17.1 1.0
F2 A:ALF1 4.9 24.5 1.0
N A:GLY417 5.0 22.1 1.0
C A:LYS210 5.0 16.6 1.0

Magnesium binding site 2 out of 2 in 3kql

Go back to Magnesium Binding Sites List in 3kql
Magnesium binding site 2 out of 2 in the Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3

b:22.0
occ:1.00
 O3B B:ADP2 1.9 14.5 1.0
F4 B:ALF1 2.0 29.5 1.0
OG B:SER211 2.3 19.2 1.0
O B:HOH8 2.3 11.2 1.0
O B:HOH10 2.3 16.8 1.0
O B:HOH9 2.4 16.1 1.0
PB B:ADP2 3.1 17.1 1.0
CB B:SER211 3.2 19.3 1.0
O2B B:ADP2 3.2 11.4 1.0
AL B:ALF1 3.3 31.1 1.0
F2 B:ALF1 3.3 27.4 1.0
OE1 B:GLU291 4.0 16.3 1.0
O2A B:ADP2 4.0 21.6 1.0
OD1 B:ASP290 4.0 32.9 1.0
N B:SER211 4.0 19.5 1.0
O3A B:ADP2 4.1 18.4 1.0
F1 B:ALF1 4.1 28.7 1.0
O1B B:ADP2 4.2 14.7 1.0
NZ B:LYS210 4.2 19.2 1.0
CA B:SER211 4.2 20.2 1.0
O B:HOH7 4.2 27.3 1.0
CA B:GLY417 4.3 21.3 1.0
CG B:ASP290 4.4 30.1 1.0
PA B:ADP2 4.5 22.0 1.0
O B:HOH183 4.5 39.1 1.0
OD2 B:ASP290 4.6 31.1 1.0
O1A B:ADP2 4.7 19.1 1.0
CB B:LYS210 4.8 19.8 1.0
F3 B:ALF1 4.9 28.8 1.0
OD1 B:ASN229 4.9 18.5 1.0
C B:LYS210 5.0 18.4 1.0

Reference:

M.Gu, C.M.Rice. Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism. Proc.Natl.Acad.Sci.Usa V. 107 521 2010.
ISSN: ISSN 0027-8424
PubMed: 20080715
DOI: 10.1073/PNAS.0913380107
Page generated: Sun Aug 10 23:55:12 2025

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