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Chlorine in PDB 6qbs: The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
Enzymatic activity of The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
All present enzymatic activity of The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K:
3.4.22.38;
3.4.22.38;
Protein crystallography data
The structure of The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K, PDB code: 6qbs
was solved by
E.Mons,
I.D.C.Jansen,
J.Loboda,
B.R.Van Doodewaerd,
M.Verdoes,
C.A.A.Vanboeckel,
P.A.Van Veelen,
B.Turk,
D.Turk,
J.Hermans,
H.Ovaa,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 47.09 / 1.70 |
| Space group | P 61 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 75.350, 75.350, 340.200, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 20.4 / 21 |
Other elements in 6qbs:
The structure of The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K also contains other interesting chemical elements:
| Fluorine | (F) | 6 atoms |
| Calcium | (Ca) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
(pdb code 6qbs). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K, PDB code: 6qbs:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K, PDB code: 6qbs:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 6qbs
Go back to
Chlorine Binding Sites List in 6qbs
Chlorine binding site 1 out
of 2 in the The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
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 The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 6qbs
Go back to
Chlorine Binding Sites List in 6qbs
Chlorine binding site 2 out
of 2 in the The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
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 The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K within 5.0Å range:
|
Reference:
E.Mons,
I.D.C.Jansen,
J.Loboda,
B.R.Van Doodewaerd,
J.Hermans,
M.Verdoes,
C.A.A.Van Boeckel,
P.A.Van Veelen,
B.Turk,
D.Turk,
H.Ovaa.
The Alkyne Moiety As A Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K. J. Am. Chem. Soc. V. 141 3507 2019.
ISSN: ESSN 1520-5126
PubMed: 30689386
DOI: 10.1021/JACS.8B11027
Page generated: Mon Jul 29 13:54:35 2024
ISSN: ESSN 1520-5126
PubMed: 30689386
DOI: 10.1021/JACS.8B11027
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