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Fluorine in PDB 2op3: The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method
Enzymatic activity of The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method
All present enzymatic activity of The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method:
3.4.22.27;
3.4.22.27;
Protein crystallography data
The structure of The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method, PDB code: 2op3
was solved by
G.Spraggon,
H.Inagaki,
H.Tsuruoka,
M.Hornsby,
S.A.Lesley,
J.A.Ellman,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 43.40 / 1.60 |
| Space group | P 41 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 85.384, 85.384, 151.200, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 15.8 / 18.1 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method
(pdb code 2op3). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method, PDB code: 2op3:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method, PDB code: 2op3:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 2op3
Go back to
Fluorine Binding Sites List in 2op3
Fluorine binding site 1 out
of 6 in the The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method
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 The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 2op3
Go back to
Fluorine Binding Sites List in 2op3
Fluorine binding site 2 out
of 6 in the The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method
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 The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 2op3
Go back to
Fluorine Binding Sites List in 2op3
Fluorine binding site 3 out
of 6 in the The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method
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 The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 2op3
Go back to
Fluorine Binding Sites List in 2op3
Fluorine binding site 4 out
of 6 in the The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method
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 The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 2op3
Go back to
Fluorine Binding Sites List in 2op3
Fluorine binding site 5 out
of 6 in the The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method
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 5 of The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 2op3
Go back to
Fluorine Binding Sites List in 2op3
Fluorine binding site 6 out
of 6 in the The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method
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 6 of The Structure of Cathepsin S with A Novel 2- Arylphenoxyacetaldehyde Inhibitor Derived By the Substrate Activity Screening (Sas) Method within 5.0Å range:
|
Reference:
H.Inagaki,
H.Tsuruoka,
M.Hornsby,
S.A.Lesley,
G.Spraggon,
J.A.Ellman.
Characterization and Optimization of Selective, Nonpeptidic Inhibitors of Cathepsin S with An Unprecedented Binding Mode. J.Med.Chem. V. 50 2693 2007.
ISSN: ISSN 0022-2623
PubMed: 17469812
DOI: 10.1021/JM070111+
Page generated: Wed Jul 31 15:23:54 2024
ISSN: ISSN 0022-2623
PubMed: 17469812
DOI: 10.1021/JM070111+
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