Fluorine »
PDB 6cr7-6d3e »
6cyc »
Fluorine in PDB 6cyc: PDE2 in Complex with Compound 5
Enzymatic activity of PDE2 in Complex with Compound 5
All present enzymatic activity of PDE2 in Complex with Compound 5:
3.1.4.17;
3.1.4.17;
Protein crystallography data
The structure of PDE2 in Complex with Compound 5, PDB code: 6cyc
was solved by
J.Lu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 38.17 / 1.54 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 72.250, 96.410, 101.650, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.5 / 20.5 |
Other elements in 6cyc:
The structure of PDE2 in Complex with Compound 5 also contains other interesting chemical elements:
| Magnesium | (Mg) | 2 atoms |
| Zinc | (Zn) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the PDE2 in Complex with Compound 5
(pdb code 6cyc). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the PDE2 in Complex with Compound 5, PDB code: 6cyc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the PDE2 in Complex with Compound 5, PDB code: 6cyc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 6cyc
Go back to
Fluorine Binding Sites List in 6cyc
Fluorine binding site 1 out
of 6 in the PDE2 in Complex with Compound 5
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 PDE2 in Complex with Compound 5 within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 6cyc
Go back to
Fluorine Binding Sites List in 6cyc
Fluorine binding site 2 out
of 6 in the PDE2 in Complex with Compound 5
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 PDE2 in Complex with Compound 5 within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 6cyc
Go back to
Fluorine Binding Sites List in 6cyc
Fluorine binding site 3 out
of 6 in the PDE2 in Complex with Compound 5
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 PDE2 in Complex with Compound 5 within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 6cyc
Go back to
Fluorine Binding Sites List in 6cyc
Fluorine binding site 4 out
of 6 in the PDE2 in Complex with Compound 5
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 PDE2 in Complex with Compound 5 within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 6cyc
Go back to
Fluorine Binding Sites List in 6cyc
Fluorine binding site 5 out
of 6 in the PDE2 in Complex with Compound 5
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 PDE2 in Complex with Compound 5 within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 6cyc
Go back to
Fluorine Binding Sites List in 6cyc
Fluorine binding site 6 out
of 6 in the PDE2 in Complex with Compound 5
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 PDE2 in Complex with Compound 5 within 5.0Å range:
|
Reference:
S.J.Stachel,
R.Berger,
A.B.Nomland,
A.T.Ginnetti,
D.V.Paone,
D.Wang,
V.Puri,
H.Lange,
J.Drott,
J.Lu,
J.Marcus,
M.P.Dwyer,
S.Suon,
J.M.Uslaner,
S.M.Smith.
Structure-Guided Design and Procognitive Assessment of A Potent and Selective Phosphodiesterase 2A Inhibitor. Acs Med Chem Lett V. 9 815 2018.
ISSN: ISSN 1948-5875
PubMed: 30128073
DOI: 10.1021/ACSMEDCHEMLETT.8B00214
Page generated: Tue Jul 15 10:31:04 2025
ISSN: ISSN 1948-5875
PubMed: 30128073
DOI: 10.1021/ACSMEDCHEMLETT.8B00214
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