Fluorine in PDB 6vdm: Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir
Enzymatic activity of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir
All present enzymatic activity of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir:
2.7.7.48; 3.4.21.98; 3.6.1.15; 3.6.4.13;
2.7.7.48; 3.4.21.98; 3.6.1.15; 3.6.4.13;
Protein crystallography data
The structure of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir, PDB code: 6vdm
was solved by
J.Timm,
C.A.Schiffer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 23.71 / 1.90 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 54.337, 58.643, 60.056, 90, 90, 90 |
| R / Rfree (%) | 16.2 / 19.6 |
Other elements in 6vdm:
The structure of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir
(pdb code 6vdm). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir, PDB code: 6vdm:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir, PDB code: 6vdm:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 6vdm
Go back to
Fluorine Binding Sites List in 6vdm
Fluorine binding site 1 out
of 4 in the Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 6vdm
Go back to
Fluorine Binding Sites List in 6vdm
Fluorine binding site 2 out
of 4 in the Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 6vdm
Go back to
Fluorine Binding Sites List in 6vdm
Fluorine binding site 3 out
of 4 in the Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 6vdm
Go back to
Fluorine Binding Sites List in 6vdm
Fluorine binding site 4 out
of 4 in the Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Hcv NS3/4A Protease A156T, D168E Double Mutant in Complex with Glecaprevir within 5.0Å range:
|
Reference:
J.Timm,
J.Zephyr,
S.Hou,
N.Kurt Yilmaz,
C.A.Schiffer.
Ras at Position 156 of Hcv NS3/4A Protease Abolish Inhibition By Current Hcv Drugs To Be Published.
Page generated: Sun Jan 24 15:54:50 2021
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