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Fluorine in PDB 5a0a: Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor
Enzymatic activity of Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor
All present enzymatic activity of Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor:
3.4.21.37;
3.4.21.37;
Protein crystallography data
The structure of Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor, PDB code: 5a0a
was solved by
F.Vonnussbaum,
V.M.-J.Li,
S.Allerheiligen,
S.Anlauf,
L.Baerfacker,
M.Bechem,
M.Delbeck,
M.F.Fitzgerald,
M.Gerisch,
H.Gielen-Haertwig,
H.Haning,
D.Karthaus,
D.Lang,
K.Lustig,
D.Meibom,
J.Mittendorf,
U.Rosentreter,
M.Schaefer,
S.Schaefer,
J.Schamberger,
L.A.Telan,
A.Tersteegen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 63.25 / 1.78 |
| Space group | P 63 |
| Cell size a, b, c (Å), α, β, γ (°) | 72.712, 72.712, 69.583, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 17 / 20.4 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor
(pdb code 5a0a). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor, PDB code: 5a0a:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor, PDB code: 5a0a:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 5a0a
Go back to
Fluorine Binding Sites List in 5a0a
Fluorine binding site 1 out
of 3 in the Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone 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 Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 5a0a
Go back to
Fluorine Binding Sites List in 5a0a
Fluorine binding site 2 out
of 3 in the Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone 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 Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 5a0a
Go back to
Fluorine Binding Sites List in 5a0a
Fluorine binding site 3 out
of 3 in the Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone 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 Crystal Structure of Human Neutrophil Elastase in Complex with A Dihydropyrimidone Inhibitor within 5.0Å range:
|
Reference:
F.Von Nussbaum,
V.M.Li,
S.Allerheiligen,
S.Anlauf,
L.Barfacker,
M.Bechem,
M.Delbeck,
M.F.Fitzgerald,
M.Gerisch,
H.Gielen-Haertwig,
H.Haning,
D.Karthaus,
D.Lang,
K.Lustig,
D.Meibom,
J.Mittendorf,
U.Rosentreter,
M.Schafer,
S.Schafer,
J.Schamberger,
L.A.Telan,
A.Tersteegen.
Freezing the Bioactive Conformation to Boost Potency: the Identification of Bay 85-8501, A Selective and Potent Inhibitor of Human Neutrophil Elastase For Pulmonary Diseases. Chemmedchem V. 10 1163 2015.
ISSN: ESSN 1860-7187
PubMed: 26083237
DOI: 10.1002/CMDC.201500131
Page generated: Thu Aug 1 07:34:18 2024
ISSN: ESSN 1860-7187
PubMed: 26083237
DOI: 10.1002/CMDC.201500131
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