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Fluorine in PDB 3k3e: Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691
Enzymatic activity of Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691
All present enzymatic activity of Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691:
3.1.4.35;
3.1.4.35;
Protein crystallography data
The structure of Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691, PDB code: 3k3e
was solved by
H.Wang,
X.Luo,
M.Ye,
J.Hou,
H.Robinson,
H.Ke,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 30.00 / 2.70 |
| Space group | P 41 21 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 103.190, 103.190, 270.849, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 23 / 25.8 |
Other elements in 3k3e:
The structure of Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691 also contains other interesting chemical elements:
| Magnesium | (Mg) | 2 atoms |
| Zinc | (Zn) | 2 atoms |
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691
(pdb code 3k3e). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691, PDB code: 3k3e:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691, PDB code: 3k3e:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 3k3e
Go back to
Fluorine Binding Sites List in 3k3e
Fluorine binding site 1 out
of 6 in the Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691
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 Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691 within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 3k3e
Go back to
Fluorine Binding Sites List in 3k3e
Fluorine binding site 2 out
of 6 in the Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691
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 Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691 within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 3k3e
Go back to
Fluorine Binding Sites List in 3k3e
Fluorine binding site 3 out
of 6 in the Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691
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 Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691 within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 3k3e
Go back to
Fluorine Binding Sites List in 3k3e
Fluorine binding site 4 out
of 6 in the Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691
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 Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691 within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 3k3e
Go back to
Fluorine Binding Sites List in 3k3e
Fluorine binding site 5 out
of 6 in the Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691
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 Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691 within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 3k3e
Go back to
Fluorine Binding Sites List in 3k3e
Fluorine binding site 6 out
of 6 in the Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691
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 Crystal Structure of the PDE9A Catalytic Domain in Complex with (R)- BAY73-6691 within 5.0Å range:
|
Reference:
H.Wang,
X.Luo,
M.Ye,
J.Hou,
H.Robinson,
H.Ke.
Insight Into Binding of Phosphodiesterase-9A Selective Inhibitors By Crystal Structures and Mutagenesis J.Med.Chem. V. 53 1726 2010.
ISSN: ISSN 0022-2623
PubMed: 20121115
DOI: 10.1021/JM901519F
Page generated: Wed Jul 31 19:46:33 2024
ISSN: ISSN 0022-2623
PubMed: 20121115
DOI: 10.1021/JM901519F
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