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Fluorine in PDB 5a2s: Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors
Enzymatic activity of Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors
All present enzymatic activity of Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors:
3.5.1.98;
3.5.1.98;
Protein crystallography data
The structure of Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors, PDB code: 5a2s
was solved by
C.A.Luckhurst,
P.Breccia,
A.J.Stott,
O.Aziz,
H.Birch,
R.W.Burli,
S.Hughes,
R.E.Jarvis,
M.Lamers,
P.Leonard,
K.L.Matthews,
G.Mcallister,
S.Pollack,
E.Saville-Stones,
G.Wishart,
D.Yates,
C.Dominguez,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 161.63 / 2.65 |
| Space group | P 2 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 52.948, 82.141, 161.626, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.523 / 25.647 |
Other elements in 5a2s:
The structure of Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors also contains other interesting chemical elements:
| Zinc | (Zn) | 4 atoms |
| Sodium | (Na) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors
(pdb code 5a2s). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors, PDB code: 5a2s:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors, PDB code: 5a2s:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 5a2s
Go back to
Fluorine Binding Sites List in 5a2s
Fluorine binding site 1 out
of 4 in the Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors
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 Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 5a2s
Go back to
Fluorine Binding Sites List in 5a2s
Fluorine binding site 2 out
of 4 in the Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors
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 Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 5a2s
Go back to
Fluorine Binding Sites List in 5a2s
Fluorine binding site 3 out
of 4 in the Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors
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 Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 5a2s
Go back to
Fluorine Binding Sites List in 5a2s
Fluorine binding site 4 out
of 4 in the Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors
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 Potent, Selective and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors within 5.0Å range:
|
Reference:
C.A.Luckhurst,
P.Breccia,
A.J.Stott,
O.Aziz,
H.L.Birch,
R.W.Burli,
S.J.Hughes,
R.E.Jarvis,
M.Lamers,
P.M.Leonard,
K.L.Matthews,
G.Mcallister,
S.Pollack,
E.Saville-Stones,
G.Wishart,
D.Yates,
C.Dominguez.
Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors. Acs Med.Chem.Lett. V. 7 34 2016.
ISSN: ISSN 1948-5875
PubMed: 26819662
DOI: 10.1021/ACSMEDCHEMLETT.5B00302
Page generated: Sun Dec 13 12:17:49 2020
ISSN: ISSN 1948-5875
PubMed: 26819662
DOI: 10.1021/ACSMEDCHEMLETT.5B00302
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