Fluorine »
PDB 4zzj-5ah8 »
5a2s »
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: Thu Aug 1 07:34:19 2024
ISSN: ISSN 1948-5875
PubMed: 26819662
DOI: 10.1021/ACSMEDCHEMLETT.5B00302
Last articles
Zn in 9JPJZn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
