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Chlorine in PDB 3iej: Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements
Enzymatic activity of Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements
All present enzymatic activity of Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements:
3.4.22.27;
3.4.22.27;
Protein crystallography data
The structure of Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements, PDB code: 3iej
was solved by
S.Bembenek,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 50.00 / 2.18 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 113.264, 37.192, 105.863, 90.00, 108.59, 90.00 |
| R / Rfree (%) | 18.7 / 26.3 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements
(pdb code 3iej). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements, PDB code: 3iej:
Jump to Chlorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Chlorine where determined in the Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements, PDB code: 3iej:
Jump to Chlorine binding site number: 1; 2; 3; 4;
Chlorine binding site 1 out of 4 in 3iej
Go back to
Chlorine Binding Sites List in 3iej
Chlorine binding site 1 out
of 4 in the Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements within 5.0Å range:
|
Chlorine binding site 2 out of 4 in 3iej
Go back to
Chlorine Binding Sites List in 3iej
Chlorine binding site 2 out
of 4 in the Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements within 5.0Å range:
|
Chlorine binding site 3 out of 4 in 3iej
Go back to
Chlorine Binding Sites List in 3iej
Chlorine binding site 3 out
of 4 in the Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements within 5.0Å range:
|
Chlorine binding site 4 out of 4 in 3iej
Go back to
Chlorine Binding Sites List in 3iej
Chlorine binding site 4 out
of 4 in the Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements within 5.0Å range:
|
Reference:
M.K.Ameriks,
F.U.Axe,
S.D.Bembenek,
J.P.Edwards,
Y.Gu,
L.Karlsson,
M.Randal,
S.Sun,
R.L.Thurmond,
J.Zhu.
Pyrazole-Based Cathepsin S Inhibitors with Arylalkynes As P1 Binding Elements. Bioorg.Med.Chem.Lett. V. 19 6131 2009.
ISSN: ISSN 0960-894X
PubMed: 19773165
DOI: 10.1016/J.BMCL.2009.09.014
Page generated: Sat Jul 20 21:30:30 2024
ISSN: ISSN 0960-894X
PubMed: 19773165
DOI: 10.1016/J.BMCL.2009.09.014
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