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Aluminium 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
Magnesium (Mg) 2 atoms

Aluminium Binding Sites:

The binding sites of Aluminium 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 Aluminium atom.
In total 2 binding sites of Aluminium where determined in the Three Conformational Snapshots of the Hepatitis C Virus NS3 Helicase Reveal A Ratchet Translocation Mechanism, PDB code: 3kql:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in 3kql

Go back to Aluminium Binding Sites List in 3kql
Aluminium 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 Aluminium with other atoms in the Al 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:Al1

b:26.5
occ:1.00
 AL A:ALF1 0.0 26.5 1.0
F3 A:ALF1 1.6 23.0 1.0
F1 A:ALF1 1.6 25.4 1.0
F4 A:ALF1 1.6 26.1 1.0
F2 A:ALF1 1.6 24.5 1.0
O2B A:ADP2 1.9 11.9 1.0
O A:HOH626 2.1 22.5 1.0
PB A:ADP2 3.3 18.4 1.0
MG A:MG3 3.4 18.7 1.0
O3B A:ADP2 3.6 16.5 1.0
NZ A:LYS210 3.7 17.9 1.0
NH2 A:ARG464 3.8 16.9 1.0
OE1 A:GLU291 3.9 21.1 1.0
O A:HOH628 3.9 21.5 1.0
O A:HOH5 3.9 20.6 1.0
NH2 A:ARG467 4.0 19.5 1.0
NH1 A:ARG464 4.0 18.3 1.0
N A:GLY207 4.0 22.3 1.0
NH1 A:ARG467 4.1 17.1 1.0
O1B A:ADP2 4.1 15.6 1.0
CA A:THR206 4.2 21.1 1.0
N A:GLY417 4.2 22.1 1.0
O3A A:ADP2 4.3 18.5 1.0
CA A:GLY417 4.4 21.3 1.0
CZ A:ARG464 4.4 17.6 1.0
CB A:THR206 4.4 20.0 1.0
OE1 A:GLN460 4.4 14.4 1.0
O A:HOH627 4.4 15.5 1.0
CZ A:ARG467 4.5 18.2 1.0
CG2 A:THR206 4.6 16.4 1.0
C A:THR206 4.7 22.3 1.0
O A:HOH4 4.7 12.8 1.0
CD A:GLU291 4.9 22.9 1.0

Aluminium binding site 2 out of 2 in 3kql

Go back to Aluminium Binding Sites List in 3kql
Aluminium 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 Aluminium with other atoms in the Al 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:Al1

b:31.1
occ:1.00
 AL B:ALF1 0.0 31.1 1.0
F4 B:ALF1 1.6 29.5 1.0
F1 B:ALF1 1.6 28.7 1.0
F2 B:ALF1 1.6 27.4 1.0
F3 B:ALF1 1.6 28.8 1.0
O2B B:ADP2 1.9 11.4 1.0
O B:HOH7 2.2 27.3 1.0
PB B:ADP2 3.3 17.1 1.0
MG B:MG3 3.3 22.0 1.0
NZ B:LYS210 3.5 19.2 1.0
O3B B:ADP2 3.6 14.5 1.0
O B:HOH8 3.7 11.2 1.0
N B:GLY207 3.9 23.5 1.0
NH2 B:ARG467 3.9 18.9 1.0
OE1 B:GLU291 4.0 16.3 1.0
O B:HOH12 4.0 17.2 1.0
NH1 B:ARG467 4.0 18.4 1.0
NH2 B:ARG464 4.0 16.9 1.0
NH1 B:ARG464 4.0 16.1 1.0
O1B B:ADP2 4.2 14.7 1.0
CA B:THR206 4.2 22.8 1.0
O3A B:ADP2 4.2 18.4 1.0
N B:GLY417 4.2 22.1 1.0
CA B:GLY417 4.3 21.3 1.0
CB B:THR206 4.4 22.4 1.0
CZ B:ARG467 4.5 19.4 1.0
OE1 B:GLN460 4.5 17.1 1.0
CZ B:ARG464 4.5 15.3 1.0
O B:HOH10 4.5 16.8 1.0
C B:THR206 4.6 23.9 1.0
CG2 B:THR206 4.7 21.1 1.0
CA B:GLY207 4.8 22.5 1.0
O B:HOH9 4.9 16.1 1.0
CE B:LYS210 4.9 22.3 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: Wed Jul 10 09:37:24 2024

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