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Bromine in PDB 4j06: Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid
Enzymatic activity of Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid
All present enzymatic activity of Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid:
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 Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid, PDB code: 4j06
was solved by
R.Coulombe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 40.00 / 2.00 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 106.500, 108.010, 133.540, 90.00, 90.00, 90.00 |
| R / Rfree (%) | n/a / n/a |
Other elements in 4j06:
The structure of Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Bromine Binding Sites:
The binding sites of Bromine atom in the Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid
(pdb code 4j06). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid, PDB code: 4j06:
Jump to Bromine binding site number: 1; 2;
In total 2 binding sites of Bromine where determined in the Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid, PDB code: 4j06:
Jump to Bromine binding site number: 1; 2;
Bromine binding site 1 out of 2 in 4j06
Go back to
Bromine Binding Sites List in 4j06
Bromine binding site 1 out
of 2 in the Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid within 5.0Å range:
|
Bromine binding site 2 out of 2 in 4j06
Go back to
Bromine Binding Sites List in 4j06
Bromine binding site 2 out
of 2 in the Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Crystal Structure of Hcv NS5B Polymerase in Complex with 2-{[(5- Bromothiophen-2-Yl)Sulfonyl]Amino}-4-Chlorobenzoic Acid within 5.0Å range:
|
Reference:
T.A.Stammers,
R.Coulombe,
J.Rancourt,
B.Thavonekham,
G.Fazal,
S.Goulet,
A.Jakalian,
D.Wernic,
Y.Tsantrizos,
M.A.Poupart,
M.Bos,
G.Mckercher,
L.Thauvette,
G.Kukolj,
P.L.Beaulieu.
Discovery of A Novel Series of Non-Nucleoside Thumb Pocket 2 Hcv NS5B Polymerase Inhibitors. Bioorg.Med.Chem.Lett. V. 23 2585 2013.
ISSN: ISSN 0960-894X
PubMed: 23545108
DOI: 10.1016/J.BMCL.2013.02.110
Page generated: Wed Jul 10 21:39:07 2024
ISSN: ISSN 0960-894X
PubMed: 23545108
DOI: 10.1016/J.BMCL.2013.02.110
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