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Fluorine in PDB 5ohj: Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor.
Enzymatic activity of Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor.
All present enzymatic activity of Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor.:
3.1.4.53;
3.1.4.53;
Protein crystallography data
The structure of Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor., PDB code: 5ohj
was solved by
A.Rizzi,
L.Carzaniga,
E.Armani,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.61 / 1.60 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 55.270, 55.730, 225.560, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.4 / 21.2 |
Other elements in 5ohj:
The structure of Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor. also contains other interesting chemical elements:
| Magnesium | (Mg) | 2 atoms |
| Zinc | (Zn) | 2 atoms |
| Chlorine | (Cl) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor.
(pdb code 5ohj). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor., PDB code: 5ohj:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor., PDB code: 5ohj:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 5ohj
Go back to
Fluorine Binding Sites List in 5ohj
Fluorine binding site 1 out
of 4 in the Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor.
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 Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor. within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 5ohj
Go back to
Fluorine Binding Sites List in 5ohj
Fluorine binding site 2 out
of 4 in the Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor.
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 Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor. within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 5ohj
Go back to
Fluorine Binding Sites List in 5ohj
Fluorine binding site 3 out
of 4 in the Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor.
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 Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor. within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 5ohj
Go back to
Fluorine Binding Sites List in 5ohj
Fluorine binding site 4 out
of 4 in the Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor.
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 Human Phosphodiesterase 4B Catalytic Domain in Complex with A Pyrrolidinyl Inhibitor. within 5.0Å range:
|
Reference:
L.Carzaniga,
G.Amari,
A.Rizzi,
C.Capaldi,
R.De Fanti,
E.Ghidini,
G.Villetti,
C.Carnini,
N.Moretto,
F.Facchinetti,
P.Caruso,
G.Marchini,
L.Battipaglia,
R.Patacchini,
V.Cenacchi,
R.Volta,
F.Amadei,
A.Pappani,
S.Capacchi,
V.Bagnacani,
M.Delcanale,
P.Puccini,
S.Catinella,
M.Civelli,
E.Armani.
Discovery and Optimization of Thiazolidinyl and Pyrrolidinyl Derivatives As Inhaled PDE4 Inhibitors For Respiratory Diseases. J. Med. Chem. V. 60 10026 2017.
ISSN: ISSN 1520-4804
PubMed: 29200281
DOI: 10.1021/ACS.JMEDCHEM.7B01044
Page generated: Thu Aug 1 12:24:57 2024
ISSN: ISSN 1520-4804
PubMed: 29200281
DOI: 10.1021/ACS.JMEDCHEM.7B01044
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